Branch: rosetta:main 「revision: №62162」
Test: ubuntu.gcc.integration.addsan
SubTest: crosslinkermover_1_4_bbmb_asymm
SubTest files: 「file-system-view」
Daemon: hojo-3    
State: crosslinkermover_1_4_bbmb_asymm

LogFile log ******** (C) Copyright Rosetta Commons Member Institutions. *************** * Use of Rosetta for commercial purposes may require purchase of a license. * ******** See LICENSE.md or email license@uw.edu for more details. ********** core.init: Rosetta extras: [] core.init: command: ROSETTA/source/bin/rosetta_scripts.default.linuxgccaddsan -in:path:database_cache_dir ROSETTA/.database-binaries/ubuntugccaddsan @flags -database ROSETTA/database -testing:INTEGRATION_TEST basic.random.init_random_generator: Constant seed mode, seed=1111111 seed_offset=0 real_seed=1111111 basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=1111111 RG_type=mt19937 protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch VirtualBB as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch N_acetylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch C_methylamidated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch ser_phosphorylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch thr_phosphorylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch ShoveBB as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch LowerDNA as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch UpperDNA as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet centroid: Skipping patch VirtualDNAPhosphate as requested core.chemical.GlobalResidueTypeSet: Finished initializing centroid residue type set. Created 69 residue types protocols.rosetta_scripts.RosettaScriptsParser: dock_design_filename=inputs/test.xml protocols.rosetta_scripts.RosettaScriptsParser: Validating input script... protocols.rosetta_scripts.RosettaScriptsSchemaValidator: Generating XML Schema for rosetta_scripts... protocols.rosetta_scripts.RosettaScriptsSchemaValidator: ...done protocols.rosetta_scripts.RosettaScriptsSchemaValidator: Initializing schema validator... protocols.rosetta_scripts.RosettaScriptsSchemaValidator: ...done protocols.rosetta_scripts.RosettaScriptsParser: ...done protocols.rosetta_scripts.RosettaScriptsParser: Parsed script: <ROSETTASCRIPTS> <SCOREFXNS> <ScoreFunction name="r15" weights="ref2015.wts"/> </SCOREFXNS> <TASKOPERATIONS/> <FILTERS/> <RESIDUE_SELECTORS> <Index name="select_ligands" resnums="12,72"/> </RESIDUE_SELECTORS> <MOVERS> <BundleGridSampler crick_params_file="alpha_helix" helix_length="20" max_samples="36" name="bgs1" nstruct_mode="true" r0="8.0" scorefxn="r15" use_degrees="true"> <Helix delta_omega0="3" delta_omega1_max="90" delta_omega1_min="25" delta_omega1_samples="6" invert="false" omega0="0" z1_offset_max="2.0" z1_offset_min="-2.0" z1_offset_samples="6"/> <Helix crick_params_file="L_alpha_helix" delta_omega0="60" invert="true" pitch_from_helix="1" r0="9.3" z1_offset="0"/> <Helix delta_omega0="120" delta_omega1="6" invert="false" pitch_from_helix="1" r0_copies_helix="1" z1_offset="2.75"/> <Helix crick_params_file="L_alpha_helix" delta_omega0="180" delta_omega1="-80" invert="true" pitch_from_helix="1" z1_offset="0"/> <Helix delta_omega0="240" invert="false" pitch_from_helix="1" r0="9.3" z1_offset="0"/> <Helix crick_params_file="L_alpha_helix" delta_omega0="300" delta_omega1="6" invert="true" pitch_from_helix="1" r0_copies_helix="1" z1_offset="2.75"/> </BundleGridSampler> <DeclareBond add_termini="true" atom1="C" atom2="N" name="add_termini" res1="1" res2="2"/> <MutateResidue name="mut1" new_res="CYS" target="12"/> <MutateResidue name="mut2" new_res="CYS" target="72"/> <CrosslinkerMover linker_name="1_4_BBMB" name="xlink" residue_selector="select_ligands" scorefxn="r15"/> </MOVERS> <APPLY_TO_POSE/> <PROTOCOLS> <Add mover="bgs1"/> <Add mover="add_termini"/> <Add mover="mut1"/> <Add mover="mut2"/> <Add mover="xlink"/> </PROTOCOLS> </ROSETTASCRIPTS> core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015 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/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 core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch pro_hydroxylated_case1 as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch pro_hydroxylated_case2 as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch LowerDNA as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch UpperDNA as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch VirtualDNAPhosphate as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch ShoveBB as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch VirtualBB as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch N_acetylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch C_methylamidated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch SpecialRotamer as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch Cterm_amidation as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch ser_phosphorylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch thr_phosphorylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch tyr_phosphorylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch tyr_sulfated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch lys_monomethylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch lys_dimethylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch lys_trimethylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch lys_acetylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch glu_carboxylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch cys_acetylated as requested core.chemical.GlobalResidueTypeSet: While generating GlobalResidueTypeSet fa_standard: Skipping patch tyr_diiodinated as requested