core.init: Mini-Rosetta version Split from developer trunk at 53488 from http://www.rosettacommons.org
core.init: command: rosetta_scripts.default.linuxgccrelease -database /home/st243991/programs/rosetta/rosetta_3.5_database/ -in:file:s rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb -parser:script_vars resfile=resfile_gdOptMC -parser:script_vars pos=2A,5A,8A -score:weights mm_std -out:file:scorefile gdOptMC.fasc -out:file:silent gdOptMC.dat -resfile resfile_gdOptMC -parser:protocol gdOptMC.xml -overwrite -multi_cool_annealer 10 -reinitialize_mover_for_new_input -in:file:fullatom true -out:file:fullatom true -use_input_sc -no_optH false -ex1 -ex2 -packing::pack_missing_sidechains false -packing::extrachi_cutoff 0 -in:file:repair_sidechains
core.init: 'RNG device' seed mode, using '/dev/urandom', seed=649764021 seed_offset=0 real_seed=649764021
core.init.random: RandomGenerator:init: Normal mode, seed=649764021 RG_type=mt19937
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushing rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ...
protocols.jd2.JobDistributor: Parser is present. Input mover will be overwritten with whatever the parser creates.
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb
core.chemical.ResidueTypeSet: Finished initializing fa_standard residue type set. Created 13912 residue types
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 4 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 7 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 16 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 19 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 28 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 31 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 40 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 43 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 52 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 55 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 64 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 67 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 76 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 79 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] skipping pdb residue b/c its missing too many mainchain atoms: 1 H B3D B3D_p:CtermProteinFull
core.io.pdb.file_data: missing: N
core.io.pdb.file_data: missing: CA
core.io.pdb.file_data: missing: CM
core.io.pdb.file_data: missing: C
core.io.pdb.file_data: [ WARNING ] discarding 2 atoms at position 89 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: [ WARNING ] discarding 1 atoms at position 92 in file rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb. Best match rsd_type: B3Y
core.io.pdb.file_data: Adding undetected upper terminus type to residue 84
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 2
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 2
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 4
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 4
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 5
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 5
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 7
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 8
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 8
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 11
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 11
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 14
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 14
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 16
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 16
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 17
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 17
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 19
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 20
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 20
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 23
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 23
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 26
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 26
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 28
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 28
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 29
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 29
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 31
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 32
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 32
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 35
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 35
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 38
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 38
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 40
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 40
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 41
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 41
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 43
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 44
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 44
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 47
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 47
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 50
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 50
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 52
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 52
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 53
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 53
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 55
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 56
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 56
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 59
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 59
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 62
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 62
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 64
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 64
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 65
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 65
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 67
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 68
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 68
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 71
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 71
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 74
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 74
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 76
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 76
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 77
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 77
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 79
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 80
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 80
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 83
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 83
core.conformation.Conformation: [ WARNING ] missing heavyatom: OXT on residue B3D_p:CtermProteinFull 84
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 86
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 86
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 88
core.conformation.Conformation: [ WARNING ] missing heavyatom: OH on residue B3Y 88
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 89
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 89
core.conformation.Conformation: [ WARNING ] missing heavyatom: CZ on residue B3Y 91
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 92
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 92
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD1 on residue B3L 95
core.conformation.Conformation: [ WARNING ] missing heavyatom: CD2 on residue B3L 95
core.io.pdb.file_data: [ WARNING ] can't find atom for res 4 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 4 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 7 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 16 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 16 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 19 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 28 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 28 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 31 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 40 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 40 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 43 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 52 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 52 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 55 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 64 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 64 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 67 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 76 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 76 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 79 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 88 atom CY (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 88 atom I (trying to set temp)
core.io.pdb.file_data: [ WARNING ] can't find atom for res 91 atom CY (trying to set temp)
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.
basic.io.database: Database file opened: scoring/score_functions/PairEPotential/pdb_pair_stats_fine
basic.io.database: Database file opened: scoring/score_functions/hbonds/standard_params/HBPoly1D.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/standard_params/HBFadeIntervals.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/standard_params/HBEval.csv
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/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/MembranePotential/CEN6_mem_env_log.txt
basic.io.database: Database file opened: scoring/score_functions/MembranePotential/CEN10_mem_env_log.txt
basic.io.database: Database file opened: scoring/score_functions/MembranePotential/memcbeta_den.txt
basic.io.database: Database file opened: scoring/score_functions/MembranePotential/mem_pair_log.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
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp
basic.io.database: Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4
core.pack.dunbrack: Dunbrack library took 0.02 seconds to load from binary
Reading in rot lib /home/st243991/programs/rosetta/rosetta_3.5_database//rotamer/ncaa_rotlibs/B3E.rotlib...done!
Reading in rot lib /home/st243991/programs/rosetta/rosetta_3.5_database//rotamer/ncaa_rotlibs/B3L.rotlib...done!
Reading in rot lib /home/st243991/programs/rosetta/rosetta_3.5_database//rotamer/ncaa_rotlibs/B3O.rotlib...done!
Reading in rot lib /home/st243991/programs/rosetta/rosetta_3.5_database//rotamer/ncaa_rotlibs/B3Y.rotlib...done!
Reading in rot lib /home/st243991/programs/rosetta/rosetta_3.5_database//rotamer/ncaa_rotlibs/B3D.rotlib...done!
ERROR: ERROR: No acceptable mutations found. All possible mutations failed at least one filter!
ERROR:: Exit from: src/protocols/design_opt/GreedyOptMutationMover.cc line: 527
core.pack.task: Packer task: initialize from command line()
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
core.pack.pack_rotamers: built 112 rotamers at 96 positions.
core.pack.pack_rotamers: IG: 259452 bytes
protocols.jd2.DockDesignParser: dock_design_filename=gdOptMC.xml
protocols.jd2.DockDesignParser: Variable substitution will occur with the following values: '%%pos%%'='2A,5A,8A'; '%%resfile%%'='resfile_gdOptMC';
protocols.jd2.DockDesignParser: Substituted script:
Add mover=minmover/>
protocols.jd2.DockDesignParser: Parsed script:
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: mm_std
core.mm.MMLJLibrary: MM lj sets added: 88
core.scoring.mm.MMLJEnergyTable: Initializing MM LJ Energy Tables with 88 atom types
core.scoring.mm.MMLJEnergyTable: Precomputing >=4 bond energy values
core.scoring.mm.MMLJEnergyTable: Precomputing 3 bond energy values
core.mm.MMTorsionLibrary: MM torsion sets added fully assigned: 717; wildcard: 35 and 1 virtual parameter.
core.scoring.etable: Using alternate parameters: LJ_RADIUS_SOFT in Etable construction.
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.
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
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
protocols.jd2.parser.ScoreFunctionLoader: defined score function "score12mod" with weights "mm_std"
defined score function "softrepmod" with weights "mm_std"
protocols.jd2.parser.TaskOperationLoader: Defined TaskOperation named "init" of type InitializeFromCommandline
protocols.toolbox.TaskOperations.DesignAroundOperation: repack_shell = 8 design shell = 0
protocols.jd2.parser.TaskOperationLoader: Defined TaskOperation named "pos_around" of type DesignAround
protocols.jd2.parser.TaskOperationLoader: Defined TaskOperation named "resfin" of type ReadResfile
protocols.rosetta_scripts.util.hh: Object OneRandomMutation reading the following task_operations: Adding the following task operations
init resfin pos_around
protocols.jd2.DockDesignParser: Defined mover named "OneRandomMutation" of type RandomMutation
protocols.rosetta_scripts.util.hh: Object repack reading the following task_operations: Adding the following task operations
init resfin pos_around
protocols.jd2.DockDesignParser: Defined mover named "repack" of type PackRotamersMover
protocols.simple_moves.MinMover: Options chi, bb: 1, 1
protocols.jd2.DockDesignParser: Defined mover named "minmover" of type MinMover
protocols.relax.FastRelax: ================== Using default script ==================
protocols.rosetta_scripts.util.hh: Object quickrelax reading the following task_operations: Adding the following task operations
init resfin pos_around
protocols.relax.FastRelax: ================== Using default script ==================
protocols.jd2.DockDesignParser: Defined mover named "quickrelax" of type FastRelax
protocols.relax.FastRelax: ================== Using default script ==================
protocols.relax.FastRelax: ================== Using default script ==================
protocols.jd2.DockDesignParser: Defined mover named "fullrelax" of type FastRelax
protocols.design_opt.GreedyOptMutationMover: GreedyOptMutationMover
protocols.rosetta_scripts.util.hh: Object candidate reading the following task_operations: Adding the following task operations
init resfin
protocols.jd2.DockDesignParser: Defined mover named "candidate" of type GreedyOptMutationMover
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
added mover "OneRandomMutation" with filter "true_filter"
added mover "candidate" with filter "true_filter"
protocols.jd2.DockDesignParser: Defined mover named "oneDesignStep" of type ParsedProtocol
protocols.simple_moves.GenericMonteCarloMover: Score evaluation during MC is done byscore12mod, true_filter is ignored.
protocols.simple_moves.GenericMonteCarloMover: Apply mover of oneDesignStep, and evaluate score by score12mod at Temperature=2, ntrails= 25
protocols.jd2.DockDesignParser: Defined mover named "mc" of type GenericMonteCarlo
protocols.rosetta_scripts.ParsedProtocol: ParsedProtocol mover with the following movers and filters
added mover "mc" with filter "true_filter"
added mover "fullrelax" with filter "true_filter"
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from saved copy rosetta_inputs/redesign/acdy_LLLL_LLLL.pdb
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER GenericMonteCarlo=======================
{
protocols.simple_moves.GenericMonteCarloMover: No task inputted
protocols.simple_moves.GenericMonteCarloMover: The number of trials for this run is: 25
protocols.simple_moves.GenericMonteCarloMover: Initialization done
protocols.rosetta_scripts.util.hh: Trial number: 1
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER RandomMutation=======================
{
core.pack.task: Packer task: initialize from command line()
protocols.protein_interface_design.movers.RandomMutation: WARNING: No residues are listed as designable.
protocols.rosetta_scripts.ParsedProtocol:
}
=======================END MOVER RandomMutation=======================
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN FILTER =======================
{
protocols.rosetta_scripts.ParsedProtocol:
}
=======================END FILTER =======================
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER GreedyOptMutationMover=======================
{
core.pack.task: Packer task: initialize from command line()
protocols.design_opt.PointMutationCalculator: WARNING: No residues are listed as designable.