Keywords: SwitchResidueTypeMover(), fold_tree(), Jump, EDGE, RigidBodyPerturbMover(), DockingSlideIntoContact(), FaDockingSlideIntoContact(), PyJobDistributor(), output_decoy(), DockMCMProtocol(), DockingLowRes(), ReturnSidechainMover()
Here, we will cover many types of Movers in Rosetta that can aid in docking, and cover the FoldTree used for docking. Note that the DockMCMProtocol is the general high-resolution docking algorithm used by Rosetta, while DockingLowRes is used for low-resolution dock moves.
!pip install pyrosettacolabsetup
import pyrosettacolabsetup; pyrosettacolabsetup.install_pyrosetta()
import pyrosetta; pyrosetta.init()
Make sure you are in the directory with the pdb files:
cd google_drive/MyDrive/student-notebooks/
For the following exercises, download and clean the complex of colicin D and ImmD (1V74). Don't forget to import pyrosetta
and initialize. Store three poses — a full-atom starting pose and centroid and full-atom “working” poses.
from pyrosetta import *
from pyrosetta.teaching import *
from pyrosetta.toolbox import cleanATOM
pyrosetta.init()
cleanATOM("1V74.pdb")
pose = pose_from_file("1V74.clean.pdb")
starting_pose = pose.clone()
cen_pose = pose.clone()
cen_switch = SwitchResidueTypeSetMover("centroid")
cen_switch.apply(cen_pose)
starting_cen_pose = cen_pose.clone()
import os
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
from pyrosetta import *
from pyrosetta.teaching import *
from pyrosetta.toolbox import cleanATOM
pyrosetta.init()
from pyrosetta.toolbox import pose_from_rcsb
pose = pose_from_rcsb("1V74")
starting_pose = pose.clone()
cen_pose = pose.clone()
cen_switch = SwitchResidueTypeSetMover("centroid")
cen_switch.apply(cen_pose)
starting_cen_pose = cen_pose.clone()
### END SOLUTION
core.init: Checking for fconfig files in pwd and ./rosetta/flags core.init: Rosetta version: PyRosetta4.Release.python36.mac r208 2019.04+release.fd666910a5e fd666910a5edac957383b32b3b4c9d10020f34c1 http://www.pyrosetta.org 2019-01-22T15:55:37 core.init: command: PyRosetta -ex1 -ex2aro -database /Users/kathyle/Computational Protein Prediction and Design/PyRosetta4.Release.python36.mac.release-208/pyrosetta/database core.init: 'RNG device' seed mode, using '/dev/urandom', seed=153200670 seed_offset=0 real_seed=153200670 core.init.random: RandomGenerator:init: Normal mode, seed=153200670 RG_type=mt19937
/Users/kathyle/Computational Protein Prediction and Design/PyRosetta4.Release.python36.mac.release-208/pyrosetta/teaching.py:13: UserWarning: Import of 'rosetta' as a top-level module is deprecated and may be removed in 2018, import via 'pyrosetta.rosetta'. from rosetta.core.scoring import *
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set. Created 696 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 1.14031 seconds. core.import_pose.import_pose: File '1V74.clean.pdb' automatically determined to be of type PDB core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 107 core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue LEU:CtermProteinFull 194 core.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 62 residue types core.chemical.GlobalResidueTypeSet: Total time to initialize 0.0535 seconds.
The fundamental docking move is a rigid-body transformation consisting of a translation and rotation. Any rigid body move also needs to know which part moves and which part is fixed. In Rosetta, this division is known as a Jump
and the set of protein segments and jumps are stored in an object attached to a pose called a FoldTree
.
print(pose.fold_tree())
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
print(pose.fold_tree())
### END SOLUTION
FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1
In the FoldTree
printout, each three number sequence following the word EDGE
is the beginning and ending residue number, then a code. The codes are -1 for stretches of protein and any positive integer for a Jump
, which represents the Jump
number.
Question: View the fold tree of your full-atom pose. How many Jumps
are there in your pose?
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
print(starting_pose.fold_tree())
print("There's 1 Jump!")
### END SOLUTION
FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1 There's 1 Jump!
By default, there is a Jump
between the N-terminus of chain A and the N-terminus of chain B, but we can change this using the exposed method setup_foldtree()
.
from pyrosetta.rosetta.protocols.docking import setup_foldtree
print(pose.fold_tree())
setup_foldtree(pose, "A_B", Vector1([1]))
setup_foldtree(starting_pose, "A_B", Vector1([1]))
print(pose.fold_tree())
if not os.getenv("DEBUG"):
### BEGIN SOLUITON
from pyrosetta.rosetta.protocols.docking import setup_foldtree
print(pose.fold_tree())
setup_foldtree(pose, "A_B", Vector1([1]))
setup_foldtree(starting_pose, "A_B", Vector1([1]))
print(pose.fold_tree())
### END SOLUTION
FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1 FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1
The argument "A_B" tells Rosetta to make chain A the “rigid” chain and allow chain B to move. If there were more chains in the pdb structure, supplying "AB_C" would hold chains A and B rigid together as a single unit and allow chain C to move. (The third argument Vector1([1]
) is required, it creates a Rosetta vector object — indexed from 1 — with one element that identifies the first Jump
in the FoldTree
for docking use.)
Question: The above command changed the FoldTree
and prepared it for docking. What has changed?
### BEGIN SOLUTION
print("We changed the Jump that was connecting the N-termini of A and B into a Jump that connects the centers of A and B.")
### END SOLUTION
We changed the Jump that was connecting the N-termini of A and B into a Jump that connects the centers of A and B.
You can see the type of information in the Jump
by printing it from the pose
:
jump_num = 1
print(pose.jump(jump_num).get_rotation()) # rotation matrix
print(pose.jump(jump_num).get_translation()) # translation vector
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
jump_num = 1
print(pose.jump(jump_num).get_rotation())
print('\n')
print(pose.jump(jump_num).get_translation())
### END SOLUTION
-0.7685217364647527 -0.5410492486350577 -0.3415260621572572 -0.4152200273442840 0.8278586413578777 -0.3771503663279437 0.4867922241299832 -0.1480397935709470 -0.8608818444165606 -2.528204534753801 -11.32734702901771 -11.01155062262599
The two basic manipulations are translations and rotations. For translation, the change in x, y, and z coordinates are needed as well as the Jump
number. A rotation requires a center and an axis about which to rotate. The rigid-body displacement can be altered directly with the RigidBodyTransMover
for translations or the RigidBodySpinMover
for rotations.
However, for structure prediction calculations, we have a Mover
that is preconfigured to make random movements varying around set magnitudes (in this case, a mean of 8° rotation and 3 Å translation) located in the rosetta.protocols.rigid
namespace, (which we will rename with an alias rigid_moves
for our convenience) :
import pyrosetta.rosetta.protocols.rigid as rigid_moves
pert_mover = rigid_moves.RigidBodyPerturbMover(jump_num, 8, 3)
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
import pyrosetta.rosetta.protocols.rigid as rigid_moves
pert_mover = rigid_moves.RigidBodyPerturbMover(jump_num, 8, 3)
### END SOLUTION
Apply the RigidBodyPerturbMover
to a full-atom pose and (optional) use a PyMOLMover
to confirm that the motions are what you expect.
Question: What are the new rotation matrix and translation vector in the Jump
? How many ångströms did the downstream protein move?
if not os.getenv("DEBUG"):
from pyrosetta import PyMOLMover
pymol = PyMOLMover()
pymol.apply(pose)
if not os.getenv("DEBUG"):
pert_mover.apply(pose)
pymol.apply(pose)
Global perturbations are useful for making completely randomized starting structures. The following Mover
will rotate a protein about its geometric center. The final orientation is equally distributed over the “globe”.
randomize1 = rigid_moves.RigidBodyRandomizeMover(pose, jump_num, rigid_moves.partner_upstream)
randomize2 = rigid_moves.RigidBodyRandomizeMover(pose, jump_num, rigid_moves.partner_downstream)
(partner_upstream
and partner_downstream
are predefined terms within the pyrosetta.rosetta.protocols.rigid
namespace, which in our case refer to chains A and B, respectively.)
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
randomize1 = rigid_moves.RigidBodyRandomizeMover(pose, jump_num, rigid_moves.partner_upstream)
randomize2 = rigid_moves.RigidBodyRandomizeMover(pose, jump_num, rigid_moves.partner_downstream)
### END SOLUTION
Apply both Movers
to the starting structure, and view the structure in PyMOL. (You might view it along with the original pose).
Question: Does the new conformation look like a candidate docked structure yet?
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
randomize1.apply(pose)
pymol.apply(pose)
### END SOLUTION
protocols.moves.RigidBodyMover: Randomize: Jump (before): RT -0.8017 -0.397394 -0.446492 -0.293156 0.912386 -0.285679 0.5209 -0.0981368 -0.847958 -1.19562 -9.50292 -10.0634 protocols.moves.RigidBodyMover: Randomize: Rot. Center (before): 8.41166 24.8844 13.8747 protocols.geometry.RB_geometry: random_reorientation_matrix phi: 280.753 psi: 213.745 theta: 89.5942 protocols.moves.RigidBodyMover: Randomize: Jump (after): RT 0.5261 0.058095 0.848436 -0.718198 -0.503923 0.479847 0.455423 -0.861793 -0.22339 9.54417 14.2708 5.28185 protocols.moves.RigidBodyMover: Randomize: Rot. Center (after): 8.41166 24.8844 13.8747 protocols.moves.RigidBodyMover: Randomize: ---
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
randomize2.apply(pose)
pymol.apply(pose)
### END SOLUTION
protocols.moves.RigidBodyMover: Randomize: Jump (before): RT 0.5261 0.058095 0.848436 -0.718198 -0.503923 0.479847 0.455423 -0.861793 -0.22339 9.54417 14.2708 5.28185 protocols.moves.RigidBodyMover: Randomize: Rot. Center (before): 1.25081 38.8476 19.6277 protocols.geometry.RB_geometry: random_reorientation_matrix phi: 202.435 psi: 88.5137 theta: 148.329 protocols.moves.RigidBodyMover: Randomize: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -11.0351 -41.2595 -1.95751 protocols.moves.RigidBodyMover: Randomize: Rot. Center (after): -19.0115 44.0928 43.7983 protocols.moves.RigidBodyMover: Randomize: ---
Since proteins are not spherical, sometimes the random orientation creates severe clashes between the docking partners, and other times it places the partners so they are no longer touching. The FaDockingSlideIntoContact
Mover
will translate the downstream protein along the line of protein centers until the proteins are in contact.
slide = DockingSlideIntoContact(jump_num) # for centroid mode
slide = FaDockingSlideIntoContact(jump_num) # for full-atom mode
slide.apply(pose)
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
slide = DockingSlideIntoContact(jump_num) # for centroid mode
slide = FaDockingSlideIntoContact(jump_num) # for full-atom mode
slide.apply(pose)
pymol.apply(pose)
### END SOLUTION
basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_env_log.txt basic.io.database: Database file opened: scoring/score_functions/InterchainPotential/interchain_pair_log.txt core.scoring.etable: Starting energy table calculation core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: Finished calculating energy tables. protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -11.0351 -41.2595 -1.95751 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.6909 -39.2965 -1.789 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.6909 -39.2965 -1.789 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.0024 -35.3707 -1.45197 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.0024 -35.3707 -1.45197 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.1745 -36.3521 -1.53623 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.1745 -36.3521 -1.53623 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.2606 -36.8429 -1.57836 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.2606 -36.8429 -1.57836 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3036 -37.0882 -1.59942 protocols.moves.RigidBodyMover: Translate: Jump (before): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3036 -37.0882 -1.59942 protocols.moves.RigidBodyMover: Translate: Jump (after): RT 0.929445 -0.157576 -0.333618 0.0159138 0.920492 -0.390436 0.368617 0.35758 0.858055 -10.3466 -37.3336 -1.62049
The MinMover
, which we have previously used to change torsion angles to find the nearest minimum in the score function, can also operate on the jump translation and rotation. It suffices to set the Jump
variable as moveable in the MoveMap
:
movemap = MoveMap()
movemap.set_jump(jump_num, True)
min_mover = MinMover()
min_mover.movemap(movemap)
scorefxn = get_fa_scorefxn()
min_mover.score_function(scorefxn)
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
movemap = MoveMap()
movemap.set_jump(jump_num, True)
min_mover = MinMover()
min_mover.movemap(movemap)
scorefxn = get_fa_scorefxn()
min_mover.score_function(scorefxn)
### END SOLUTION
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv
basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb
basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop
Apply the above MinMover
to the working pose
scorefxn(pose)
min_mover.apply(pose)
print(pose.jump(jump_num).get_rotation())
print(pose.jump(jump_num).get_translation())
Question: How much does the score change? What are the new rotation matrix and translation vector in the Jump
? How many Ångstroms did the downstream protein move?
#Skip for tests
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
scorefxn(pose)
min_mover.apply(pose)
print(pose.jump(jump_num).get_rotation())
print(pose.jump(jump_num).get_translation())
### END SOLUTION
basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat core.scoring.elec.util: Read 40 countpair representative atoms core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true. core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated. core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /Users/kathyle/Computational Protein Prediction and Design/PyRosetta4.Release.python36.mac.release-208/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/Users/kathyle/Computational Protein Prediction and Design/PyRosetta4.Release.python36.mac.release-208/pyrosetta/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'. core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.453838 seconds to load from binary 0.9274324116146171 -0.1588438511942681 -0.3385819735669223 0.02530081134139125 0.9298956510365534 -0.3669522409371191 0.3731340118940731 0.3317570031228866 0.8664342445025811 -10.41040820955571 -37.11370093489805 -0.8393506277951737
RosettaDock can also perform global docking runs, but it can require significant time. Typically, $10^{5}$ - $10^{6}$ decoys are needed in a global run. For this workshop, we will create a much smaller number and learn the tools needed to handle large runs.
Docking is available as a mover that completely encompasses the protocol. To use the Mover
, you will need a starting pose with both chains and a jump defined. The structure must be in low-resolution (centroid) mode, and you will need the low-resolution docking score function:
scorefxn_low = create_score_function("interchain_cen")
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
scorefxn_low = create_score_function("interchain_cen")
### END SOLUTION
Randomize your centroid version of the complex. Then, create low-resolution docking structures as follows:
dock_lowres = DockingLowRes(scorefxn_low, jump_num)
print(cen_pose.fold_tree())
setup_foldtree(cen_pose, "A_B", Vector1([1]))
print(cen_pose.fold_tree())
dock_lowres.apply(cen_pose)
#Skip for tests
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
dock_lowres = DockingLowRes(scorefxn_low, jump_num)
print(cen_pose.fold_tree())
setup_foldtree(cen_pose, "A_B", Vector1([1]))
print(cen_pose.fold_tree())
dock_lowres.apply(cen_pose)
### END SOLUTION
FOLD_TREE EDGE 1 107 -1 EDGE 1 108 1 EDGE 108 194 -1 FOLD_TREE EDGE 1 88 -1 EDGE 88 107 -1 EDGE 88 158 1 EDGE 158 108 -1 EDGE 158 194 -1 protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.2 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.16
You can compare structures by calculating the root-mean-squared deviation of all the Cα atoms, using the function CA_rmsd(pose1, pose2)
. In docking, a more useful measure is the ligand RMSD, which is the deviation of the backbone Cα atoms of the ligand after superposition of the receptor protein backbones. You can calculate ligand RMSD with calc_Lrmsd(pose1, pose2, Vector1([1])
).
print(CA_rmsd(cen_pose, starting_cen_pose))
print(calc_Lrmsd(cen_pose, starting_cen_pose, Vector1([1])))
Question: Using both measures, how far did your pose move from the low-resolution search?
if not os.getenv("DEBUG"):
print(CA_rmsd(cen_pose, starting_cen_pose))
print(calc_Lrmsd(cen_pose, starting_cen_pose, Vector1([1])))
1.6128009557724 3.059707088138466
Examine the created decoys in PyMOL directly.
pymol.keep_history(True)
pymol.apply(cen_pose)
pymol.apply(pose)
OR dump the pdbs to view in PyMOL.
cen_pose.dump_pdb("cen_pose.pdb")
pose.dump_pdb("pose.pdb")
Question: Does it look like a reasonable structure for a protein-protein complex? Explain.
For exhaustive searches with Rosetta (docking, refinement, or folding), it is necessary to create a large number of candidate structures, termed “decoys”. This is often accomplished by spreading out the work over a large number of computers. Additionally, each decoy created needs to be individually labeled. The object that is responsible for managing the output is called a PyJobDistributor
. Here, we will use a simple job distributor to create multiple structures. The following constructor sets the job distributor to create 10 decoys, with filenames like output_1.pdb
, output_2.pdb
, etc. The pdb files will also include scores according to the ScoreFunction
provided.
jd = PyJobDistributor("output", 10, scorefxn_low)
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
jd = PyJobDistributor("output", 10, scorefxn_low)
### END SOLUTION
Working on decoy: output_9.pdb
It is also useful to compare each decoy to the native structure (if it is known; otherwise any reference structure can be used). The job distributor will do the RMSD calculation and final scoring upon output. To set the native pose:
# your starting_cen_pose should be the native crystal structure
jd.native_pose = starting_cen_pose
if not os.getenv("DEBUG"):
# your starting_cen_pose should be the native crystal structure
### BEGIN SOLUTION
jd.native_pose = starting_cen_pose
### END SOLUTION
Create a randomized starting pose, working pose, fold tree, score function, job distributor, and low-resolution docking mover. Now, run the low-resolution docking protocol to create a structure, and output a decoy:
cen_pose.assign(starting_cen_pose)
dock_lowres.apply(cen_pose)
jd.output_decoy(cen_pose)
Do this twice and confirm that you have two output files in your working directory.
#Skip for tests
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
cen_pose.assign(starting_cen_pose)
dock_lowres.apply(cen_pose)
jd.output_decoy(cen_pose)
### END SOLUTION
protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 Working on decoy: output_1.pdb
Whenever the output_decoy()
method is called, the current_num
variable of the PyJobDistributor
is incremented, and it also outputs an updated score file: output.fasc
. We can finish the set of 10 decoys by using the PyJobDistributor
to set up a loop:
while not jd.job_complete:
cen_pose.assign(starting_cen_pose)
dock_lowres.apply(cen_pose)
jd.output_decoy(cen_pose)
Note the jd.job_complete
Boolean variable that indicates whether all 10 decoys have been created.
#Skip for tests
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
while not jd.job_complete:
cen_pose.assign(starting_cen_pose)
dock_lowres.apply(cen_pose)
jd.output_decoy(cen_pose)
### END SOLUTION
protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 Working on decoy: output_5.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 Working on decoy: output_4.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.12 Working on decoy: output_3.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.16 Working on decoy: output_7.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.16 Working on decoy: output_0.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.16 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.14 Working on decoy: output_6.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 Working on decoy: output_8.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.16 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 Working on decoy: output_2.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02
Run the loop to create 10 structures. The score file, output.fasc
summarizes the energies and RMSDs of all structures created.
Question: Examine that file. What is the lowest score? What is the lowest energy?
Reset the PyJobDistributor
to create 100 decoys (or more or less, as the speed of your processor allows) by reconstructing it. Rerun the loop above to make 100 decoys. Use your score file to plot score versus RMSD. (Two easy ways to do this are to import the score file into Excel or to use the Linux command gnuplot.)
jd = PyJobDistributor("output", 100, scorefxn_low)
while not jd.job_complete:
cen_pose.assign(starting_cen_pose)
dock_lowres.apply(cen_pose)
jd.output_decoy(cen_pose)
Question: Do you see an energy funnel?
#Skip for tests
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
jd = PyJobDistributor("output", 100, scorefxn_low)
while not jd.job_complete:
cen_pose.assign(starting_cen_pose)
dock_lowres.apply(cen_pose)
jd.output_decoy(cen_pose)
### END SOLUTION
Working on decoy: output_68.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.16 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.18 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.1 Working on decoy: output_32.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.18 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.2 Working on decoy: output_36.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 Working on decoy: output_45.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Acceptance rate is: 0.18 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.24 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 Working on decoy: output_26.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.12 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.02 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.14 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.24 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.26 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.2 Working on decoy: output_60.pdb protocols.docking.DockingLowRes: in DockingLowRes.apply protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: /// Docking Low Res Protocol /// protocols.docking.DockingLowRes: /// /// protocols.docking.DockingLowRes: /// Centroid Inner Cycles: 50 /// protocols.docking.DockingLowRes: /// Centroid Outer Cycles: 10 /// protocols.docking.DockingLowRes: /// Scorefunction: /// protocols.docking.DockingLowRes: ScoreFunction::show(): weights: (interchain_pair 1) (interchain_vdw 1) (interchain_env 1) (interchain_contact 2) energy_method_options: EnergyMethodOptions::show: aa_composition_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: mhc_epitope_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: netcharge_setup_files: protocols.docking.DockingLowRes: EnergyMethodOptions::show: aspartimide_penalty_value: 25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.docking.DockingLowRes: EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.docking.DockingLowRes: EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_RNA_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_RNA_protein_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_die: 10 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_die: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D: 80 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_D0: 6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_sigmoidal_S: 0.4 protocols.docking.DockingLowRes: EnergyMethodOptions::show: smooth_fa_elec: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_type: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: grp_cpfxn: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.docking.DockingLowRes: EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_polarization: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: use_gen_kirkwood: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: protein_dielectric: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: water_dielectric: 78.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: count_pair_hybrid: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: put_intra_into_total: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.docking.DockingLowRes: EnergyMethodOptions::show: eval_intrares_elec_ST_only: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.docking.DockingLowRes: EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_bound_tag: bound protocols.docking.DockingLowRes: EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_wat_penalty: 1.221 protocols.docking.DockingLowRes: EnergyMethodOptions::show: ordered_pt_wat_penalty: 2.709 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_containing_cones_cutoff_:6 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_distance_cutoff_: 8 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_cone_dotproduct_cutoff_: 0.1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_grid_padding_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_voxel_size_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: voids_penalty_energy_disabled_except_during_packing_: TRUE protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_bonus_ramping_function_: "quadratic" protocols.docking.DockingLowRes: EnergyMethodOptions::show: hbnet_max_network_size_: 0 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_hbond_energy_threshold_: -0.25 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_atomic_depth_: 4.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_probe_radius_: 2.3 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_burial_resolution_: 0.5 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_oversat_penalty_: 1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: approximate_buried_unsat_penalty_assume_const_backbone_:1 protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.docking.DockingLowRes: EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.docking.DockingLowRes: HBondOptions::show: exclude_DNA_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_protein_: true protocols.docking.DockingLowRes: HBondOptions::show: exclude_intra_res_RNA_: false protocols.docking.DockingLowRes: HBondOptions::show: put_intra_into_total_: false protocols.docking.DockingLowRes: HBondOptions::show: exclude_self_hbonds: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: use_hb_env_dep_DNA: true protocols.docking.DockingLowRes: HBondOptions::show: smooth_hb_env_dep: true protocols.docking.DockingLowRes: HBondOptions::show: bb_donor_acceptor_check: true protocols.docking.DockingLowRes: HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.docking.DockingLowRes: HBondOptions::show: params_database_tag_: ref2015_params protocols.docking.DockingLowRes: HBondOptions::show: use_sp2_chi_penalty_: true protocols.docking.DockingLowRes: HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.docking.DockingLowRes: HBondOptions::show: sp2_outer_width_: 0.357 protocols.docking.DockingLowRes: HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.docking.DockingLowRes: HBondOptions::show: fade_energy_: 1 protocols.docking.DockingLowRes: HBondOptions::show: exclude_ether_oxygens_: 0 protocols.docking.DockingLowRes: HBondOptions::show: Mbhbond: false protocols.docking.DockingLowRes: HbondOptions::show: mphbond: false protocols.docking.DockingLowRes: HBondOptions::show: hbond_energy_shift: 0 protocols.docking.DockingLowRes: HBondOptions::show: water_hybrid_sf: false protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.docking.DockingLowRes: RNA_EnergyMethodOptions::show: rna_base_pair_xy_filename: scoring/rna/rna_base_pair_xy.dat protocols.docking.DockingLowRes: FreeDOF_Options::show: free_suite_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_sugar_bonus: -1 protocols.docking.DockingLowRes: FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.docking.DockingLowRes: FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: protocols.docking.DockingLowRes: //////////////////////////////////////////////////////////////////////////////// protocols.docking.DockingLowRes: ::::::::::::::::::Centroid Adaptive::::::::::::::::::: protocols.docking.DockingLowRes: Translation magnitude: 0.7 protocols.docking.DockingLowRes: Rotation magnitude: 5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.63 protocols.docking.DockingLowRes: Rotation magnitude: 4.5 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.567 protocols.docking.DockingLowRes: Rotation magnitude: 4.05 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.08 protocols.docking.DockingLowRes: Translation magnitude: 0.5103 protocols.docking.DockingLowRes: Rotation magnitude: 3.645 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.45927 protocols.docking.DockingLowRes: Rotation magnitude: 3.2805 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.413343 protocols.docking.DockingLowRes: Rotation magnitude: 2.95245 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.06 protocols.docking.DockingLowRes: Translation magnitude: 0.372009 protocols.docking.DockingLowRes: Rotation magnitude: 2.65721 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04 protocols.docking.DockingLowRes: Translation magnitude: 0.334808 protocols.docking.DockingLowRes: Rotation magnitude: 2.39148 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.1 protocols.docking.DockingLowRes: Translation magnitude: 0.301327 protocols.docking.DockingLowRes: Rotation magnitude: 2.15234 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0 protocols.docking.DockingLowRes: Translation magnitude: 0.271194 protocols.docking.DockingLowRes: Rotation magnitude: 1.9371 protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Accepted protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Rigid Body Perturbation Rejected protocols.docking.DockingLowRes: Acceptance rate is: 0.04
--------------------------------------------------------------------------- KeyboardInterrupt Traceback (most recent call last) <ipython-input-24-816da8ffa34d> in <module>() 3 cen_pose.assign(starting_cen_pose) 4 dock_lowres.apply(cen_pose) ----> 5 jd.output_decoy(cen_pose) ~/Computational Protein Prediction and Design/PyRosetta4.Release.python36.mac.release-208/pyrosetta/toolbox/py_jobdistributor.py in output_decoy(self, pose) 130 os.remove(self.current_in_progress_name) 131 --> 132 self.start_decoy() ~/Computational Protein Prediction and Design/PyRosetta4.Release.python36.mac.release-208/pyrosetta/toolbox/py_jobdistributor.py in start_decoy(self) 91 self.current_in_progress_name = self.current_name + ".in_progress" 92 ---> 93 if (not os.path.isfile(self.current_name)) and (not os.path.isfile(self.current_in_progress_name)): 94 with open(self.current_in_progress_name, "w") as f: 95 f.write("This decoy is in progress.") /Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/genericpath.py in isfile(path) 28 """Test whether a path is a regular file""" 29 try: ---> 30 st = os.stat(path) 31 except OSError: 32 return False KeyboardInterrupt:
The high-resolution stage of RosettaDock is also available as a Mover
. This mover encompasses random rigid-body moves, side-chain packing, and gradient-based minimization in the rigid-body coordinates. High-resolution docking needs an all-atom score function. The optimized docking weights are available as a patch to the standard all-atom energy function.
scorefxn_high = create_score_function("ref2015.wts", "docking")
dock_hires = DockMCMProtocol()
dock_hires.set_scorefxn(scorefxn_high)
dock_hires.set_partners("A_B") # make sure the FoldTree is set up properly
Note that unlike for DockingLowRes
, we must supply the docking partners with "A_B"
instead of jump_num
.
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
scorefxn_high = create_score_function("ref2015.wts", "docking")
dock_hires = DockMCMProtocol()
dock_hires.set_scorefxn(scorefxn_high)
dock_hires.set_partners("A_B") # make sure the FoldTree is set up properly
### END SOLUTION
A high-resolution decoy needs side chains. One way to place the side chains is to call the PackMover
, which will generate a conformation from rotamers. A second way is to copy the side chains from the original monomer structures. This is often helpful for docking calculations since the monomer crystal structures have good side chain positions.
recover_sidechains = ReturnSidechainMover(starting_pose)
recover_sidechains.apply(pose)
if not os.getenv("DEBUG"):
### BEGIN SOLUTION
recover_sidechains = ReturnSidechainMover(starting_pose)
recover_sidechains.apply(pose)
### END SOLUTION
Load one of your low-resolution decoys, add the side chains from the starting pose, and refine the decoy using high-resolution docking.
Question: How far did the structure move during refinement? How much did the score improve?
Starting from your lowest-scoring low-resolution decoy, create three high-resolution decoys. (You might use the PyJobDistributor
.) Do the same starting from the native structure.
Questions:
How do the refined-native scores compare to the refined-decoy scores?
What is the RMSD of the refined native? Why is it not zero?
How much variation do you see in the refined native scores? In the refined decoy scores? Is the difference between the refined natives and the refined decoys significant?
Using a PyJobDistributor
and DockMCMProtocol
, create 10 decoys starting with a RigidBodyRandomizeMover
perturbation of partner_downstream
, 10 decoys starting from different local random perturbations (8°, 3 Å), 10 decoys starting from low-resolution decoys, and 10 starting from the native structure. Plot all of these points on a funnel plot.
Question: How is the sampling from each method? Does the scoring function discriminate good complexes?
Output a structure with a 10 Å translation and another with a 30° rotation (both starting from the same starting structure), and load them into PyMOL to confirm the motions are what you expect.
Diffusion. Make a series of random rigid body perturbations and record the RMSD after each. Plot RMSD versus the number of moves. Does this process emulate diffusion? If it did, how would you know? (Hint: there is a way to plot these data to make them linear.)
Starting from a low-resolution docking decoy, refine the structure in three separate ways:
side-chain packing
gradient-based minimization in the rigid-body coordinates
gradient-based minimization in the torsional coordinates
the docking high-resolution protocol
For each, note the change in RMSD and the change in score. Which operations move the protein the most? Which make the most difference in the score?
MonteCarlo
object, the RigidBodyMover
, PackRotamers
, and the MinMover
, create your own high-resolution docking protocol. Bonus: Can you tune it to beat the standard protocol? “Beating” the standard protocol could mean achieving lower energies, running in faster time, and/or being able to better predict complexes.