{
"compared_with_test": {
"full_name": "linux.clang.integration.release_debug_no_symbols",
"name": "integration.release_debug_no_symbols",
"platform": {
"compiler": "clang",
"extras": [],
"os": "linux"
},
"platform_as_string": "linux.clang",
"revision": {
"branch": "master",
"revision_id": 62017
},
"state": "failed",
"test_id": 801611
},
"summary": {
"failed": 8,
"failed_tests": [
"rnp_ddg_finalize",
"database_md5",
"cmaes_minimizer",
"PTMPrediction",
"energy_based_clustering_alpha_aa_scorefile",
"mp_dock_ensemble",
"output_schema",
"mp_dock"
],
"total": 786
},
"tests": {
"AddConstraintsToCurrentConformationMover": {
"log": "",
"state": "passed"
},
"AlignPDBInfoToSequences": {
"log": "",
"state": "passed"
},
"AlterSpecDisruption": {
"log": "",
"state": "passed"
},
"AnchorFinder": {
"log": "",
"state": "passed"
},
"AnchoredDesign": {
"log": "",
"state": "passed"
},
"AnchoredPDBCreator": {
"log": "",
"state": "passed"
},
"BFactorSelector": {
"log": "",
"state": "passed"
},
"BuildPeptide": {
"log": "",
"state": "passed"
},
"CCD_loop_closure": {
"log": "",
"state": "passed"
},
"CCS_PARCS": {
"log": "",
"state": "passed"
},
"ConsensusLoopDesign": {
"log": "",
"state": "passed"
},
"ContactMolecularSurface": {
"log": "",
"state": "passed"
},
"DARC_electrostatics": {
"log": "",
"state": "passed"
},
"DARC_make_ray_files": {
"log": "",
"state": "passed"
},
"DARC_sampling_on_the_fly": {
"log": "",
"state": "passed"
},
"DARC_shapeonly": {
"log": "",
"state": "passed"
},
"DNA_methylation": {
"log": "",
"state": "passed"
},
"DumpTrajectoryEnergy": {
"log": "",
"state": "passed"
},
"DumpTrajectoryEnergy_packing": {
"log": "",
"state": "passed"
},
"Enzrevert_xml": {
"log": "",
"state": "passed"
},
"FilterReportAsPoseExtraScoresMover": {
"log": "",
"state": "passed"
},
"FlipChirality": {
"log": "",
"state": "passed"
},
"FloppyTail": {
"log": "",
"state": "passed"
},
"HDXEnergy": {
"log": "",
"state": "passed"
},
"HOW_TO_MAKE_TESTS": {
"log": "",
"state": "passed"
},
"HelixBendFilter": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_allscores": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_bothpack": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_ligand": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_prepack": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_resfile": {
"log": "",
"state": "passed"
},
"InterfaceAnalyzer_tracer": {
"log": "",
"state": "passed"
},
"InterfaceDdG": {
"log": "",
"state": "passed"
},
"KIC_refine": {
"log": "",
"state": "passed"
},
"KIC_vicinity": {
"log": "",
"state": "passed"
},
"KIC_with_fragments": {
"log": "",
"state": "passed"
},
"LayerDesign": {
"log": "",
"state": "passed"
},
"LayerDesign_symm": {
"log": "",
"state": "passed"
},
"LayerSelector": {
"log": "",
"state": "passed"
},
"LoopAnalyzer": {
"log": "",
"state": "passed"
},
"LoopLengthChange": {
"log": "",
"state": "passed"
},
"ModifyVariantTypeMover": {
"log": "",
"state": "passed"
},
"MutateResidue_selector": {
"log": "",
"state": "passed"
},
"N-terminal_acetylation": {
"log": "",
"state": "passed"
},
"OversaturatedHbondAcceptorFilter": {
"log": "",
"state": "passed"
},
"PDB_diagnostic": {
"log": "",
"state": "passed"
},
"PTMPrediction": {
"log": "Brief Diff:\ndiff: /home/benchmark/working_dir/master:62017/PTMPrediction: No such file or directory\r\n",
"state": "failed"
},
"PeptideCyclizeMover": {
"log": "",
"state": "passed"
},
"PeptideStubMover_prependRepeat": {
"log": "",
"state": "passed"
},
"PolarDesign2019": {
"log": "",
"state": "passed"
},
"ProQ": {
"log": "",
"state": "passed"
},
"RBOut": {
"log": "",
"state": "passed"
},
"ReadResfile_with_selector": {
"log": "",
"state": "passed"
},
"RescorePDDF": {
"log": "",
"state": "passed"
},
"RescoreSAXS": {
"log": "",
"state": "passed"
},
"ResidueDisorder": {
"log": "",
"state": "passed"
},
"SID_ERMS_prediction": {
"log": "",
"state": "passed"
},
"SID_rescore": {
"log": "",
"state": "passed"
},
"SSElementSelector": {
"log": "",
"state": "passed"
},
"SecondaryStructureFilter": {
"log": "",
"state": "passed"
},
"SnugDock": {
"log": "",
"state": "passed"
},
"StrandCurvatureByLevels": {
"log": "",
"state": "passed"
},
"StrandHelixGeometryFilter": {
"log": "",
"state": "passed"
},
"ThreadingInputter": {
"log": "",
"state": "passed"
},
"TryDisulfPermutations": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester_extra_bodies": {
"log": "",
"state": "passed"
},
"UBQ_E2_thioester_two_ubiquitins": {
"log": "",
"state": "passed"
},
"UBQ_Gp_CYD-CYD": {
"log": "",
"state": "passed"
},
"UBQ_Gp_LYX-Cterm": {
"log": "",
"state": "passed"
},
"UnsatSelector": {
"log": "",
"state": "passed"
},
"Werror_check": {
"log": "",
"state": "passed"
},
"abinitio": {
"log": "",
"state": "passed"
},
"abinitio_with_trRosetta": {
"log": "",
"state": "passed"
},
"add_constraints_to_current_conformation": {
"log": "",
"state": "passed"
},
"add_helix_sequence_constraints": {
"log": "",
"state": "passed"
},
"add_helix_sequence_constraints_advanced_setup": {
"log": "",
"state": "passed"
},
"add_job_pair_data": {
"log": "",
"state": "passed"
},
"angle_recovery_stats": {
"log": "",
"state": "passed"
},
"antibody_H3": {
"log": "",
"state": "passed"
},
"antibody_H3_camelid": {
"log": "",
"state": "passed"
},
"antibody_cc": {
"log": "",
"state": "passed"
},
"antibody_designer": {
"log": "",
"state": "passed"
},
"antibody_designer_camelid": {
"log": "",
"state": "passed"
},
"antibody_designer_xml": {
"log": "",
"state": "passed"
},
"antibody_graft": {
"log": "",
"state": "passed"
},
"antibody_numbering_converter": {
"log": "",
"state": "passed"
},
"app_exception_handling": {
"log": "",
"state": "passed"
},
"assemble_domains_jd2": {
"log": "",
"state": "passed"
},
"auto-drrafter_final_results": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R1": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R2": {
"log": "",
"state": "passed"
},
"auto-drrafter_setup_run_R3": {
"log": "",
"state": "passed"
},
"autoNOE_rosetta": {
"log": "",
"state": "passed"
},
"autosetup_metals_centroid": {
"log": "",
"state": "passed"
},
"backbonegridsampler": {
"log": "",
"state": "passed"
},
"backbonegridsampler_multiresidue": {
"log": "",
"state": "passed"
},
"backbonegridsampler_nstruct_mode": {
"log": "",
"state": "passed"
},
"backrub": {
"log": "",
"state": "passed"
},
"backrub_interface_ddG": {
"log": "",
"state": "passed"
},
"backrub_pilot": {
"log": "",
"state": "passed"
},
"balancedKIC": {
"log": "",
"state": "passed"
},
"basic_gcn_tensorflow_test": {
"log": "",
"state": "passed"
},
"batch_relax": {
"log": "",
"state": "passed"
},
"beta_strand_homodimer": {
"log": "",
"state": "passed"
},
"bin_initialization": {
"log": "",
"state": "passed"
},
"bin_perturbation": {
"log": "",
"state": "passed"
},
"binselector": {
"log": "",
"state": "passed"
},
"binselector_probins": {
"log": "",
"state": "passed"
},
"broker": {
"log": "",
"state": "passed"
},
"broker_membrane": {
"log": "",
"state": "passed"
},
"bundlegridsampler": {
"log": "",
"state": "passed"
},
"bundlegridsampler_composition_energy": {
"log": "",
"state": "passed"
},
"bundlegridsampler_composition_energy_fract_range": {
"log": "",
"state": "passed"
},
"bundlegridsampler_copy_pitch": {
"log": "",
"state": "passed"
},
"bundlegridsampler_design": {
"log": "",
"state": "passed"
},
"bundlegridsampler_design_nstruct_mode": {
"log": "",
"state": "passed"
},
"bundlegridsampler_epsilon": {
"log": "",
"state": "passed"
},
"bundlegridsampler_multirepeat": {
"log": "",
"state": "passed"
},
"bundlegridsampler_z0_offset": {
"log": "",
"state": "passed"
},
"bundlegridsampler_z1_offset": {
"log": "",
"state": "passed"
},
"bundlereporter_filter": {
"log": "",
"state": "passed"
},
"burial_measure_centroid": {
"log": "",
"state": "passed"
},
"buried_area_filter": {
"log": "",
"state": "passed"
},
"buried_unsat_kinemage": {
"log": "",
"state": "passed"
},
"buried_unsat_voids_hbnet_design": {
"log": "",
"state": "passed"
},
"buried_unsat_voids_hbnet_design_symm": {
"log": "",
"state": "passed"
},
"c-term_conjugation": {
"log": "",
"state": "passed"
},
"calculate_sasa": {
"log": "",
"state": "passed"
},
"carbohydrates": {
"log": "",
"state": "passed"
},
"cart_min_glycans": {
"log": "",
"state": "passed"
},
"cartesianddg": {
"log": "",
"state": "passed"
},
"case_sensitive_filenames": {
"log": "",
"state": "passed"
},
"ccd_ends_graft_mover_rs": {
"log": "",
"state": "passed"
},
"central_class_modification": {
"log": "",
"state": "passed"
},
"centroid_disulfide_scores": {
"log": "",
"state": "passed"
},
"centroid_from_fullatom": {
"log": "",
"state": "passed"
},
"cl_complex_rescore": {
"log": "",
"state": "passed"
},
"classic_relax_1a19": {
"log": "",
"state": "passed"
},
"cleanAlignment": {
"log": "",
"state": "passed"
},
"cluster": {
"log": "",
"state": "passed"
},
"cluster_alns": {
"log": "",
"state": "passed"
},
"cluster_calibur": {
"log": "",
"state": "passed"
},
"cluster_filter": {
"log": "",
"state": "passed"
},
"cmaes_minimizer": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62017/cmaes_minimizer/log and /home/benchmark/working_dir/master:62018/cmaes_minimizer/log differ\r\nFiles /home/benchmark/working_dir/master:62017/cmaes_minimizer/min_pose.pdb and /home/benchmark/working_dir/master:62018/cmaes_minimizer/min_pose.pdb differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/cmaes_minimizer/log /home/benchmark/working_dir/master:62018/cmaes_minimizer/log\r\n95c95\r\n< core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 7.47e-04 < stopTolFun=1.00e-03\r\n---\r\n> core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 9.28e-04 < stopTolFun=1.00e-03\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/cmaes_minimizer/min_pose.pdb /home/benchmark/working_dir/master:62018/cmaes_minimizer/min_pose.pdb\r\n13c13\r\n< ATOM 4 O ALA 2 35.363 12.776 -5.095 1.00 0.00 O \r\n---\r\n> ATOM 4 O ALA 2 35.363 12.778 -5.095 1.00 0.00 O \r\n22,112c22,112\r\n< ATOM 13 N ALA 3 35.406 12.650 -7.426 1.00 0.00 N \r\n< ATOM 14 CA ALA 3 36.820 12.491 -7.105 1.00 0.00 C \r\n< ATOM 15 C ALA 3 37.372 13.739 -6.459 1.00 0.00 C \r\n< ATOM 16 O ALA 3 38.264 13.696 -5.604 1.00 0.00 O \r\n< ATOM 17 CB ALA 3 37.555 12.118 -8.404 1.00 0.00 C \r\n< ATOM 18 H ALA 3 34.961 12.656 -8.411 1.00 0.00 H \r\n< ATOM 19 HA ALA 3 36.927 11.668 -6.373 1.00 0.00 H \r\n< ATOM 20 1HB ALA 3 37.162 11.181 -8.843 1.00 0.00 H \r\n< ATOM 21 2HB ALA 3 37.456 12.903 -9.179 1.00 0.00 H \r\n< ATOM 22 3HB ALA 3 38.636 11.961 -8.236 1.00 0.00 H \r\n< ATOM 23 N ALA 4 36.830 15.046 -6.859 1.00 0.00 N \r\n< ATOM 24 CA ALA 4 37.613 16.049 -6.143 1.00 0.00 C \r\n< ATOM 25 C ALA 4 37.375 15.959 -4.654 1.00 0.00 C \r\n< ATOM 26 O ALA 4 38.265 16.203 -3.832 1.00 0.00 O \r\n< ATOM 27 CB ALA 4 37.248 17.427 -6.722 1.00 0.00 C \r\n< ATOM 28 H ALA 4 36.016 15.228 -7.544 1.00 0.00 H \r\n< ATOM 29 HA ALA 4 38.687 15.850 -6.317 1.00 0.00 H \r\n< ATOM 30 1HB ALA 4 37.464 17.487 -7.806 1.00 0.00 H \r\n< ATOM 31 2HB ALA 4 36.174 17.662 -6.595 1.00 0.00 H \r\n< ATOM 32 3HB ALA 4 37.819 18.241 -6.240 1.00 0.00 H \r\n< ATOM 33 N ALA 5 36.044 15.570 -4.168 1.00 0.00 N \r\n< ATOM 34 CA ALA 5 36.088 15.688 -2.714 1.00 0.00 C \r\n< ATOM 35 C ALA 5 36.956 14.610 -2.110 1.00 0.00 C \r\n< ATOM 36 O ALA 5 37.628 14.803 -1.089 1.00 0.00 O \r\n< ATOM 37 CB ALA 5 34.640 15.646 -2.198 1.00 0.00 C \r\n< ATOM 38 H ALA 5 35.201 15.257 -4.768 1.00 0.00 H \r\n< ATOM 39 HA ALA 5 36.544 16.661 -2.452 1.00 0.00 H \r\n< ATOM 40 1HB ALA 5 34.029 16.466 -2.621 1.00 0.00 H \r\n< ATOM 41 2HB ALA 5 34.132 14.697 -2.458 1.00 0.00 H \r\n< ATOM 42 3HB ALA 5 34.592 15.751 -1.099 1.00 0.00 H \r\n< ATOM 43 N ALA 6 37.004 13.290 -2.755 1.00 0.00 N \r\n< ATOM 44 CA ALA 6 37.847 12.451 -1.908 1.00 0.00 C \r\n< ATOM 45 C ALA 6 39.286 12.907 -1.957 1.00 0.00 C \r\n< ATOM 46 O ALA 6 40.026 12.850 -0.968 1.00 0.00 O \r\n< ATOM 47 CB ALA 6 37.668 10.994 -2.368 1.00 0.00 C \r\n< ATOM 48 H ALA 6 36.514 12.999 -3.672 1.00 0.00 H \r\n< ATOM 49 HA ALA 6 37.507 12.552 -0.860 1.00 0.00 H \r\n< ATOM 50 1HB ALA 6 36.614 10.665 -2.290 1.00 0.00 H \r\n< ATOM 51 2HB ALA 6 37.974 10.849 -3.423 1.00 0.00 H \r\n< ATOM 52 3HB ALA 6 38.265 10.294 -1.757 1.00 0.00 H \r\n< ATOM 53 N ALA 7 39.822 13.436 -3.219 1.00 0.00 N \r\n< ATOM 54 CA ALA 7 41.241 13.692 -2.985 1.00 0.00 C \r\n< ATOM 55 C ALA 7 41.432 14.816 -1.994 1.00 0.00 C \r\n< ATOM 56 O ALA 7 42.365 14.825 -1.184 1.00 0.00 O \r\n< ATOM 57 CB ALA 7 41.894 13.981 -4.348 1.00 0.00 C \r\n< ATOM 58 H ALA 7 39.278 13.602 -4.136 1.00 0.00 H \r\n< ATOM 59 HA ALA 7 41.696 12.786 -2.544 1.00 0.00 H \r\n< ATOM 60 1HB ALA 7 41.777 13.132 -5.048 1.00 0.00 H \r\n< ATOM 61 2HB ALA 7 41.453 14.869 -4.840 1.00 0.00 H \r\n< ATOM 62 3HB ALA 7 42.979 14.167 -4.253 1.00 0.00 H \r\n< ATOM 63 N ALA 8 40.476 15.933 -1.993 1.00 0.00 N \r\n< ATOM 64 CA ALA 8 40.970 16.892 -1.008 1.00 0.00 C \r\n< ATOM 65 C ALA 8 40.897 16.318 0.387 1.00 0.00 C \r\n< ATOM 66 O ALA 8 41.758 16.559 1.241 1.00 0.00 O \r\n< ATOM 67 CB ALA 8 40.150 18.184 -1.164 1.00 0.00 C \r\n< ATOM 68 H ALA 8 39.588 16.027 -2.600 1.00 0.00 H \r\n< ATOM 69 HA ALA 8 42.034 17.102 -1.221 1.00 0.00 H \r\n< ATOM 70 1HB ALA 8 40.245 18.610 -2.182 1.00 0.00 H \r\n< ATOM 71 2HB ALA 8 39.070 18.018 -0.984 1.00 0.00 H \r\n< ATOM 72 3HB ALA 8 40.481 18.969 -0.460 1.00 0.00 H \r\n< ATOM 73 N ALA 9 39.766 15.448 0.741 1.00 0.00 N \r\n< ATOM 74 CA ALA 9 39.879 15.193 2.175 1.00 0.00 C \r\n< ATOM 75 C ALA 9 40.922 14.139 2.455 1.00 0.00 C \r\n< ATOM 76 O ALA 9 41.337 13.914 3.599 1.00 0.00 O \r\n< ATOM 77 CB ALA 9 38.483 14.804 2.690 1.00 0.00 C \r\n< ATOM 78 H ALA 9 39.004 15.071 0.074 1.00 0.00 H \r\n< ATOM 79 HA ALA 9 40.209 16.124 2.674 1.00 0.00 H \r\n< ATOM 80 1HB ALA 9 37.740 15.604 2.509 1.00 0.00 H \r\n< ATOM 81 2HB ALA 9 38.099 13.888 2.201 1.00 0.00 H \r\n< ATOM 82 3HB ALA 9 38.485 14.612 3.779 1.00 0.00 H \r\n< ATOM 83 N ALA 10 41.462 13.355 1.335 1.00 0.00 N \r\n< ATOM 84 CA ALA 10 42.423 12.421 1.914 1.00 0.00 C \r\n< ATOM 85 C ALA 10 43.773 13.075 2.091 1.00 0.00 C \r\n< ATOM 86 O ALA 10 44.742 12.465 2.559 1.00 0.00 O \r\n< ATOM 87 CB ALA 10 42.477 11.182 1.005 1.00 0.00 C \r\n< ATOM 88 H ALA 10 41.200 13.451 0.291 1.00 0.00 H \r\n< ATOM 89 HA ALA 10 42.068 12.125 2.919 1.00 0.00 H \r\n< ATOM 90 1HB ALA 10 41.487 10.695 0.917 1.00 0.00 H \r\n< ATOM 91 2HB ALA 10 42.805 11.433 -0.023 1.00 0.00 H \r\n< ATOM 92 3HB ALA 10 43.174 10.417 1.391 1.00 0.00 H \r\n< ATOM 93 N ALA 11 43.941 14.481 1.696 1.00 0.00 N \r\n< ATOM 94 CA ALA 11 45.360 14.784 1.848 1.00 0.00 C \r\n< ATOM 95 C ALA 11 45.662 15.272 3.246 1.00 0.00 C \r\n< ATOM 96 O ALA 11 44.782 15.371 4.110 1.00 0.00 O \r\n< ATOM 97 OXT ALA 11 46.782 15.578 3.546 1.00 0.00 O \r\n< ATOM 98 CB ALA 11 45.738 15.808 0.765 1.00 0.00 C \r\n< ATOM 99 H ALA 11 43.166 15.156 1.359 1.00 0.00 H \r\n< ATOM 100 HA ALA 11 45.938 13.854 1.694 1.00 0.00 H \r\n< ATOM 101 1HB ALA 11 45.546 15.418 -0.253 1.00 0.00 H \r\n< ATOM 102 2HB ALA 11 45.166 16.750 0.863 1.00 0.00 H \r\n< ATOM 103 3HB ALA 11 46.811 16.073 0.806 1.00 0.00 H \r\n---\r\n> ATOM 13 N ALA 3 35.405 12.647 -7.426 1.00 0.00 N \r\n> ATOM 14 CA ALA 3 36.819 12.488 -7.105 1.00 0.00 C \r\n> ATOM 15 C ALA 3 37.372 13.738 -6.462 1.00 0.00 C \r\n> ATOM 16 O ALA 3 38.264 13.696 -5.606 1.00 0.00 O \r\n> ATOM 17 CB ALA 3 37.555 12.112 -8.404 1.00 0.00 C \r\n> ATOM 18 H ALA 3 34.960 12.651 -8.410 1.00 0.00 H \r\n> ATOM 19 HA ALA 3 36.926 11.666 -6.371 1.00 0.00 H \r\n> ATOM 20 1HB ALA 3 37.161 11.174 -8.840 1.00 0.00 H \r\n> ATOM 21 2HB ALA 3 37.456 12.895 -9.180 1.00 0.00 H \r\n> ATOM 22 3HB ALA 3 38.635 11.955 -8.235 1.00 0.00 H \r\n> ATOM 23 N ALA 4 36.831 15.044 -6.865 1.00 0.00 N \r\n> ATOM 24 CA ALA 4 37.614 16.048 -6.151 1.00 0.00 C \r\n> ATOM 25 C ALA 4 37.377 15.961 -4.662 1.00 0.00 C \r\n> ATOM 26 O ALA 4 38.268 16.205 -3.840 1.00 0.00 O \r\n> ATOM 27 CB ALA 4 37.250 17.424 -6.733 1.00 0.00 C \r\n> ATOM 28 H ALA 4 36.017 15.225 -7.551 1.00 0.00 H \r\n> ATOM 29 HA ALA 4 38.689 15.848 -6.325 1.00 0.00 H \r\n> ATOM 30 1HB ALA 4 37.466 17.482 -7.817 1.00 0.00 H \r\n> ATOM 31 2HB ALA 4 36.176 17.660 -6.605 1.00 0.00 H \r\n> ATOM 32 3HB ALA 4 37.821 18.240 -6.252 1.00 0.00 H \r\n> ATOM 33 N ALA 5 36.045 15.574 -4.175 1.00 0.00 N \r\n> ATOM 34 CA ALA 5 36.091 15.693 -2.720 1.00 0.00 C \r\n> ATOM 35 C ALA 5 36.961 14.617 -2.117 1.00 0.00 C \r\n> ATOM 36 O ALA 5 37.635 14.813 -1.098 1.00 0.00 O \r\n> ATOM 37 CB ALA 5 34.643 15.649 -2.204 1.00 0.00 C \r\n> ATOM 38 H ALA 5 35.202 15.262 -4.774 1.00 0.00 H \r\n> ATOM 39 HA ALA 5 36.545 16.667 -2.460 1.00 0.00 H \r\n> ATOM 40 1HB ALA 5 34.030 16.467 -2.627 1.00 0.00 H \r\n> ATOM 41 2HB ALA 5 34.136 14.698 -2.462 1.00 0.00 H \r\n> ATOM 42 3HB ALA 5 34.595 15.754 -1.104 1.00 0.00 H \r\n> ATOM 43 N ALA 6 37.008 13.296 -2.759 1.00 0.00 N \r\n> ATOM 44 CA ALA 6 37.853 12.459 -1.912 1.00 0.00 C \r\n> ATOM 45 C ALA 6 39.291 12.917 -1.961 1.00 0.00 C \r\n> ATOM 46 O ALA 6 40.032 12.861 -0.972 1.00 0.00 O \r\n> ATOM 47 CB ALA 6 37.676 11.001 -2.370 1.00 0.00 C \r\n> ATOM 48 H ALA 6 36.518 13.003 -3.675 1.00 0.00 H \r\n> ATOM 49 HA ALA 6 37.512 12.560 -0.864 1.00 0.00 H \r\n> ATOM 50 1HB ALA 6 36.622 10.671 -2.292 1.00 0.00 H \r\n> ATOM 51 2HB ALA 6 37.982 10.856 -3.425 1.00 0.00 H \r\n> ATOM 52 3HB ALA 6 38.273 10.302 -1.759 1.00 0.00 H \r\n> ATOM 53 N ALA 7 39.827 13.445 -3.224 1.00 0.00 N \r\n> ATOM 54 CA ALA 7 41.246 13.703 -2.990 1.00 0.00 C \r\n> ATOM 55 C ALA 7 41.435 14.828 -2.001 1.00 0.00 C \r\n> ATOM 56 O ALA 7 42.369 14.838 -1.190 1.00 0.00 O \r\n> ATOM 57 CB ALA 7 41.898 13.991 -4.353 1.00 0.00 C \r\n> ATOM 58 H ALA 7 39.282 13.610 -4.141 1.00 0.00 H \r\n> ATOM 59 HA ALA 7 41.702 12.797 -2.548 1.00 0.00 H \r\n> ATOM 60 1HB ALA 7 41.782 13.141 -5.053 1.00 0.00 H \r\n> ATOM 61 2HB ALA 7 41.456 14.879 -4.847 1.00 0.00 H \r\n> ATOM 62 3HB ALA 7 42.982 14.179 -4.259 1.00 0.00 H \r\n> ATOM 63 N ALA 8 40.478 15.944 -2.000 1.00 0.00 N \r\n> ATOM 64 CA ALA 8 40.971 16.904 -1.016 1.00 0.00 C \r\n> ATOM 65 C ALA 8 40.899 16.332 0.380 1.00 0.00 C \r\n> ATOM 66 O ALA 8 41.761 16.574 1.233 1.00 0.00 O \r\n> ATOM 67 CB ALA 8 40.150 18.195 -1.173 1.00 0.00 C \r\n> ATOM 68 H ALA 8 39.590 16.036 -2.607 1.00 0.00 H \r\n> ATOM 69 HA ALA 8 42.035 17.115 -1.230 1.00 0.00 H \r\n> ATOM 70 1HB ALA 8 40.244 18.621 -2.191 1.00 0.00 H \r\n> ATOM 71 2HB ALA 8 39.070 18.028 -0.992 1.00 0.00 H \r\n> ATOM 72 3HB ALA 8 40.480 18.981 -0.469 1.00 0.00 H \r\n> ATOM 73 N ALA 9 39.770 15.460 0.735 1.00 0.00 N \r\n> ATOM 74 CA ALA 9 39.884 15.207 2.169 1.00 0.00 C \r\n> ATOM 75 C ALA 9 40.928 14.153 2.449 1.00 0.00 C \r\n> ATOM 76 O ALA 9 41.343 13.928 3.593 1.00 0.00 O \r\n> ATOM 77 CB ALA 9 38.489 14.817 2.685 1.00 0.00 C \r\n> ATOM 78 H ALA 9 39.008 15.082 0.069 1.00 0.00 H \r\n> ATOM 79 HA ALA 9 40.214 16.138 2.667 1.00 0.00 H \r\n> ATOM 80 1HB ALA 9 37.745 15.616 2.504 1.00 0.00 H \r\n> ATOM 81 2HB ALA 9 38.104 13.901 2.197 1.00 0.00 H \r\n> ATOM 82 3HB ALA 9 38.492 14.626 3.774 1.00 0.00 H \r\n> ATOM 83 N ALA 10 41.468 13.369 1.329 1.00 0.00 N \r\n> ATOM 84 CA ALA 10 42.431 12.437 1.908 1.00 0.00 C \r\n> ATOM 85 C ALA 10 43.779 13.092 2.085 1.00 0.00 C \r\n> ATOM 86 O ALA 10 44.750 12.483 2.553 1.00 0.00 O \r\n> ATOM 87 CB ALA 10 42.485 11.197 1.000 1.00 0.00 C \r\n> ATOM 88 H ALA 10 41.206 13.464 0.286 1.00 0.00 H \r\n> ATOM 89 HA ALA 10 42.075 12.141 2.914 1.00 0.00 H \r\n> ATOM 90 1HB ALA 10 41.496 10.709 0.912 1.00 0.00 H \r\n> ATOM 91 2HB ALA 10 42.813 11.447 -0.028 1.00 0.00 H \r\n> ATOM 92 3HB ALA 10 43.183 10.433 1.386 1.00 0.00 H \r\n> ATOM 93 N ALA 11 43.946 14.498 1.690 1.00 0.00 N \r\n> ATOM 94 CA ALA 11 45.365 14.802 1.842 1.00 0.00 C \r\n> ATOM 95 C ALA 11 45.666 15.290 3.240 1.00 0.00 C \r\n> ATOM 96 O ALA 11 44.786 15.388 4.104 1.00 0.00 O \r\n> ATOM 97 OXT ALA 11 46.786 15.597 3.540 1.00 0.00 O \r\n> ATOM 98 CB ALA 11 45.742 15.827 0.759 1.00 0.00 C \r\n> ATOM 99 H ALA 11 43.171 15.172 1.353 1.00 0.00 H \r\n> ATOM 100 HA ALA 11 45.944 13.872 1.688 1.00 0.00 H \r\n> ATOM 101 1HB ALA 11 45.551 15.437 -0.259 1.00 0.00 H \r\n> ATOM 102 2HB ALA 11 45.169 16.768 0.858 1.00 0.00 H \r\n> ATOM 103 3HB ALA 11 46.814 16.093 0.800 1.00 0.00 H \r\n118,128c118,128\r\n< pose -24.6927 4.77041 24.4071 0.01055 0 -2.66075 -10.1655 0 -5.28249 0 0 0 0 0.0864 0 -0.76544 0 13.2468 -3.47148 -4.51707\r\n< ALA:NtermProteinFull_1 -2.02796 0.3366 1.43658 0.00166 0 -0.18237 -0.92027 0 0 0 0 0 0 -0.00098 0 0 0 1.32468 0 -0.03205\r\n< ALA_2 -1.93948 0.45957 1.97939 0.00095 0 -0.20478 -1.15594 0 0 0 0 0 0 -0.03195 0 -0.19094 0 1.32468 -0.28982 -0.04833\r\n< ALA_3 -2.40974 0.49291 2.29655 0.00095 0 -0.28337 -0.72593 0 0 0 0 0 0 0.00664 0 -0.16348 0 1.32468 -0.53391 0.0053\r\n< ALA_4 -3.24869 0.48631 2.64716 0.00094 0 -0.34171 -0.78027 0 0 0 0 0 0 -0.03751 0 -0.0428 0 1.32468 -0.38235 -0.37423\r\n< ALA_5 -3.34208 0.46828 3.38565 0.00095 0 -0.32687 -1.81803 0 0 0 0 0 0 -0.02061 0 -0.09475 0 1.32468 -0.29829 -0.72106\r\n< ALA_6 -3.158 0.47599 3.18545 0.00095 0 -0.4078 -1.3852 0 0 0 0 0 0 -0.02831 0 -0.14049 0 1.32468 -0.3669 -0.49964\r\n< ALA_7 -2.81697 0.50575 2.86849 0.00095 0 -0.32683 -1.40449 0 0 0 0 0 0 0.10651 0 -0.15662 0 1.32468 -0.4035 -0.30202\r\n< ALA_8 -2.26038 0.56096 2.41268 0.00097 0 -0.22284 -0.73828 0 0 0 0 0 0 -0.02734 0 -0.04473 0 1.32468 -0.44848 0.55725\r\n< ALA_9 -2.01298 0.59944 2.15748 0.00108 0 -0.17556 -1.1294 0 0 0 0 0 0 0.11994 0 0.06837 0 1.32468 -0.50005 0.453\r\n< ALA:CtermProteinFull_10 -1.47636 0.38461 2.0377 0.00114 0 -0.18862 -0.10775 0 0 0 0 0 0 0 0 0 0 1.32468 -0.2482 1.7272\r\n---\r\n> pose -24.7028 4.78116 24.4244 0.01055 0 -2.65283 -10.1679 0 -5.27948 0 0 0 0 0.08375 0 -0.7765 0 13.2468 -3.48418 -4.51701\r\n> ALA:NtermProteinFull_1 -2.02795 0.33679 1.43677 0.00167 0 -0.1811 -0.92015 0 0 0 0 0 0 -0.00107 0 0 0 1.32468 0 -0.03036\r\n> ALA_2 -1.94156 0.46042 1.9817 0.00095 0 -0.20407 -1.15439 0 0 0 0 0 0 -0.03229 0 -0.19154 0 1.32468 -0.28955 -0.04565\r\n> ALA_3 -2.41194 0.49513 2.30083 0.00095 0 -0.28247 -0.72526 0 0 0 0 0 0 0.00459 0 -0.16581 0 1.32468 -0.53396 0.00674\r\n> ALA_4 -3.25173 0.48937 2.65161 0.00094 0 -0.34089 -0.78129 0 0 0 0 0 0 -0.03629 0 -0.04785 0 1.32468 -0.38579 -0.37723\r\n> ALA_5 -3.3451 0.47025 3.38859 0.00095 0 -0.32513 -1.81933 0 0 0 0 0 0 -0.02002 0 -0.09788 0 1.32468 -0.30395 -0.72693\r\n> ALA_6 -3.15982 0.47728 3.18819 0.00095 0 -0.4069 -1.3857 0 0 0 0 0 0 -0.02814 0 -0.14066 0 1.32468 -0.36954 -0.49966\r\n> ALA_7 -2.81634 0.50608 2.86896 0.00095 0 -0.3258 -1.40599 0 0 0 0 0 0 0.10664 0 -0.15726 0 1.32468 -0.40409 -0.30219\r\n> ALA_8 -2.25979 0.56154 2.41287 0.00097 0 -0.22243 -0.73856 0 0 0 0 0 0 -0.02719 0 -0.04411 0 1.32468 -0.4494 0.55856\r\n> ALA_9 -2.01306 0.5996 2.15769 0.00108 0 -0.17519 -1.12968 0 0 0 0 0 0 0.11752 0 0.06863 0 1.32468 -0.50009 0.45117\r\n> ALA:CtermProteinFull_10 -1.4755 0.38469 2.03722 0.00114 0 -0.18885 -0.10756 0 0 0 0 0 0 0 0 0 0 1.32468 -0.24781 1.72802\r\n134c134\r\n< TOTAL_SCORE: -4.51707\r\n---\r\n> TOTAL_SCORE: -4.51701\r\n136,146c136,146\r\n< TOTAL_WTD: fa_atr: -24.693 fa_rep: 4.770 fa_sol: 24.407 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.661 fa_elec: -10.166 pro_close: 0.000 hbond_sr_bb: -5.282 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.086 fa_dun: 0.000 p_aa_pp: -0.765 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.471\r\n< RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.337 fa_sol: 1.437 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.182 fa_elec: -0.920 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.001 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000\r\n< RSD_WTD: 2 fa_atr: -1.939 fa_rep: 0.460 fa_sol: 1.979 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.205 fa_elec: -1.156 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.032 fa_dun: 0.000 p_aa_pp: -0.191 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.290\r\n< RSD_WTD: 3 fa_atr: -2.410 fa_rep: 0.493 fa_sol: 2.297 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.283 fa_elec: -0.726 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.007 fa_dun: 0.000 p_aa_pp: -0.163 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.534\r\n< RSD_WTD: 4 fa_atr: -3.249 fa_rep: 0.486 fa_sol: 2.647 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.342 fa_elec: -0.780 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.038 fa_dun: 0.000 p_aa_pp: -0.043 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.382\r\n< RSD_WTD: 5 fa_atr: -3.342 fa_rep: 0.468 fa_sol: 3.386 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.818 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.021 fa_dun: 0.000 p_aa_pp: -0.095 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.298\r\n< RSD_WTD: 6 fa_atr: -3.158 fa_rep: 0.476 fa_sol: 3.185 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.408 fa_elec: -1.385 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.028 fa_dun: 0.000 p_aa_pp: -0.140 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.367\r\n< RSD_WTD: 7 fa_atr: -2.817 fa_rep: 0.506 fa_sol: 2.868 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.404 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.107 fa_dun: 0.000 p_aa_pp: -0.157 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.403\r\n< RSD_WTD: 8 fa_atr: -2.260 fa_rep: 0.561 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.223 fa_elec: -0.738 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.027 fa_dun: 0.000 p_aa_pp: -0.045 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.448\r\n< RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.599 fa_sol: 2.157 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.176 fa_elec: -1.129 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.120 fa_dun: 0.000 p_aa_pp: 0.068 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.500\r\n< RSD_WTD: 10 fa_atr: -1.476 fa_rep: 0.385 fa_sol: 2.038 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.108 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.248\r\n---\r\n> TOTAL_WTD: fa_atr: -24.703 fa_rep: 4.781 fa_sol: 24.424 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.653 fa_elec: -10.168 pro_close: 0.000 hbond_sr_bb: -5.279 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.084 fa_dun: 0.000 p_aa_pp: -0.777 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.484\r\n> RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.337 fa_sol: 1.437 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.181 fa_elec: -0.920 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.001 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: 0.000\r\n> RSD_WTD: 2 fa_atr: -1.942 fa_rep: 0.460 fa_sol: 1.982 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.204 fa_elec: -1.154 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.032 fa_dun: 0.000 p_aa_pp: -0.192 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.290\r\n> RSD_WTD: 3 fa_atr: -2.412 fa_rep: 0.495 fa_sol: 2.301 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.282 fa_elec: -0.725 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.005 fa_dun: 0.000 p_aa_pp: -0.166 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.534\r\n> RSD_WTD: 4 fa_atr: -3.252 fa_rep: 0.489 fa_sol: 2.652 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.341 fa_elec: -0.781 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.036 fa_dun: 0.000 p_aa_pp: -0.048 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.386\r\n> RSD_WTD: 5 fa_atr: -3.345 fa_rep: 0.470 fa_sol: 3.389 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.325 fa_elec: -1.819 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.020 fa_dun: 0.000 p_aa_pp: -0.098 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.304\r\n> RSD_WTD: 6 fa_atr: -3.160 fa_rep: 0.477 fa_sol: 3.188 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.407 fa_elec: -1.386 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.028 fa_dun: 0.000 p_aa_pp: -0.141 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.370\r\n> RSD_WTD: 7 fa_atr: -2.816 fa_rep: 0.506 fa_sol: 2.869 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.326 fa_elec: -1.406 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.107 fa_dun: 0.000 p_aa_pp: -0.157 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.404\r\n> RSD_WTD: 8 fa_atr: -2.260 fa_rep: 0.562 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.222 fa_elec: -0.739 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: -0.027 fa_dun: 0.000 p_aa_pp: -0.044 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.449\r\n> RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.600 fa_sol: 2.158 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.175 fa_elec: -1.130 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.118 fa_dun: 0.000 p_aa_pp: 0.069 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.500\r\n> RSD_WTD: 10 fa_atr: -1.476 fa_rep: 0.385 fa_sol: 2.037 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.108 pro_close: 0.000 hbond_sr_bb: 0.000 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.000 fa_dun: 0.000 p_aa_pp: 0.000 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.248\r\n",
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"code_template_tests_citations": {
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"code_template_tests_src": {
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"code_template_tests_unit": {
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"coenzymes": {
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"combine_silent": {
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"composition_energy_layers": {
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"constel": {
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},
"constraints_metric": {
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"state": "passed"
},
"contactMap": {
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},
"control_flow_rs": {
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"state": "passed"
},
"copy_rotamer_mover": {
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},
"count_cycpep_sequences": {
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},
"coupled_moves": {
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"crankshaft_flip": {
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},
"create_clash-based_repack_shell": {
"log": "",
"state": "passed"
},
"create_sequence_motif": {
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"state": "passed"
},
"crossaln": {
"log": "",
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},
"crosslinkermover_1_4_bbmb_asymm": {
"log": "",
"state": "passed"
},
"crosslinkermover_1_4_bbmb_c2_symmetry": {
"log": "",
"state": "passed"
},
"crosslinkermover_1_4_bbmb_s2_symm": {
"log": "",
"state": "passed"
},
"crosslinkermover_octahedral": {
"log": "",
"state": "passed"
},
"crosslinkermover_octahedral_s2_symm": {
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"state": "passed"
},
"crosslinkermover_square_planar": {
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"state": "passed"
},
"crosslinkermover_square_planar_d2_symm": {
"log": "",
"state": "passed"
},
"crosslinkermover_square_pyramidal": {
"log": "",
"state": "passed"
},
"crosslinkermover_tetrahedral_metal": {
"log": "",
"state": "passed"
},
"crosslinkermover_tetrahedral_metal_asp": {
"log": "",
"state": "passed"
},
"crosslinkermover_tetrahedral_metal_c2_symmetry": {
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},
"crosslinkermover_tetrahedral_metal_d2_symmetry": {
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"state": "passed"
},
"crosslinkermover_thioether": {
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"state": "passed"
},
"crosslinkermover_tma": {
"log": "",
"state": "passed"
},
"crosslinkermover_tma_symm": {
"log": "",
"state": "passed"
},
"crosslinkermover_trigonal_planar": {
"log": "",
"state": "passed"
},
"crosslinkermover_trigonal_planar_c3_symm": {
"log": "",
"state": "passed"
},
"crosslinkermover_trigonal_pyramidal": {
"log": "",
"state": "passed"
},
"crosslinkermover_trigonal_pyramidal_c3_symm": {
"log": "",
"state": "passed"
},
"cs_rosetta_rna": {
"log": "",
"state": "passed"
},
"cst_info": {
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"state": "passed"
},
"cstfile_to_theozyme_pdb": {
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"state": "passed"
},
"custom_basetype_packer_palette": {
"log": "",
"state": "passed"
},
"cyclization": {
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"state": "passed"
},
"cycpep_design_pipeline": {
"log": "",
"state": "passed"
},
"cycpep_rdkit_metric": {
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"state": "passed"
},
"cycpep_rigid_body_permutation_mover": {
"log": "",
"state": "passed"
},
"cycpep_symmetry_filter": {
"log": "",
"state": "passed"
},
"d_workflow": {
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},
"database_jd2_compact_io": {
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"database_jd2_io": {
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},
"database_md5": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62017/database_md5/database_md5s.txt and /home/benchmark/working_dir/master:62018/database_md5/database_md5s.txt differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/database_md5/database_md5s.txt /home/benchmark/working_dir/master:62018/database_md5/database_md5s.txt\r\n20794c20794,20871\r\n< 9d534cc85cd1e84d0b46ab35ca26bf67 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/README.md\r\n---\r\n> 08916859a0ec5d4eb6ef25e3ec6a1c81 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/deamidation_rates.csv\r\n> 35d763fe76fe381411e23487a2d1a89c ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/LICENSE\r\n> 67c10e7b66639201c6171f1e3540b966 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Acetylation/keras_metadata.pb\r\n> 61ad74883aa71d9031db93b1501ca93d ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Acetylation/saved_model.pb\r\n> c5078811c4b526f755e26e6180e5209b ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Acetylation/variables/variables.data-00000-of-00001\r\n> 4e2cb62d9e47de4b3b1622532717a5b7 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Acetylation/variables/variables.index\r\n> c4bf8d854e8efce2a8e29c55dc110150 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ArgMethylation/keras_metadata.pb\r\n> 837b2e98dde8f68f3aeed78be9dee20c ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ArgMethylation/saved_model.pb\r\n> ddf7a0f72fed7d7b8f0f6876a3562cc4 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ArgMethylation/variables/variables.data-00000-of-00001\r\n> 3a591c65605f0325e3f69f208371c03e ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ArgMethylation/variables/variables.index\r\n> c3240a7c72858d01f41f08400789ba58 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Citrullination/keras_metadata.pb\r\n> 9f359181be462e03b270bebde0ee1706 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Citrullination/saved_model.pb\r\n> 78b81f5bb7c7736480c01bfe0c80c859 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Citrullination/variables/variables.data-00000-of-00001\r\n> eb6019ab9ff6b9f79c0d2b61002a1038 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Citrullination/variables/variables.index\r\n> ac9b40065fde75884097de65eea98f49 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Crotonylation/keras_metadata.pb\r\n> ef4d4339153ff3d5726d1842f0d71b4b ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Crotonylation/saved_model.pb\r\n> 04881c4196aed7aa52e026271bd98521 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Crotonylation/variables/variables.data-00000-of-00001\r\n> 2f358b33ef10b1458f368dde6313f8a3 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Crotonylation/variables/variables.index\r\n> 366d430a4aa14a7902523e90892482f4 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Deamidation/assets/saved_model.json\r\n> 7a0365f704b07933068deaea8537f458 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Deamidation/saved_model.pb\r\n> 760e1769ef78d64faa289479341181ce ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Deamidation/variables/checkpoint\r\n> 0c78f1023b72a17a6ecda2fb6df68a2c ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Deamidation/variables/variables.data-00000-of-00002\r\n> b00079baf93569896086b4400299039c ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Deamidation/variables/variables.data-00001-of-00002\r\n> 789e8c83840f81f52c1a7eb3a26dc2ae ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Deamidation/variables/variables.index\r\n> 83e4672986cebe3b3569eef9487bf38c ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_GammaCarboxyGlutamicAcid/keras_metadata.pb\r\n> 53284410955a3a440571b5ab67a1f25e ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_GammaCarboxyGlutamicAcid/saved_model.pb\r\n> cc61507799a11374531581550fdaecb8 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_GammaCarboxyGlutamicAcid/variables/variables.data-00000-of-00001\r\n> f731eb7920c1a3f5b6f60b5900181951 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_GammaCarboxyGlutamicAcid/variables/variables.index\r\n> 1e6ed36629f31c4135d95c31e27fc966 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutarylation/keras_metadata.pb\r\n> 0cd3e7e06dde5cb0a215c31aeb2e9778 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutarylation/saved_model.pb\r\n> 4ddfb1cb0f0456aea9a1ddc4d2ef860f ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutarylation/variables/variables.data-00000-of-00001\r\n> 1853ad9034220aff4dbe51c2499a63be ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutarylation/variables/variables.index\r\n> af5a7f293c6ff9076cfae95ca5ec502f ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutathionylation/keras_metadata.pb\r\n> 157b13b0ad884eb6f0960dd0f4155511 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutathionylation/saved_model.pb\r\n> 8c113cb8792b53c1f6d24abad88b0090 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutathionylation/variables/variables.data-00000-of-00001\r\n> 7166f5c6b29ff082807ec8e44e58b620 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Glutathionylation/variables/variables.index\r\n> 362cca1e8bb34493eef84110ecba2172 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_LysMethylation/keras_metadata.pb\r\n> b96c6cc4cc5d3f228095fe1aa666a69f ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_LysMethylation/saved_model.pb\r\n> 0b10529a24cd5f0ce6c51e6cbc1b9fe9 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_LysMethylation/variables/variables.data-00000-of-00001\r\n> 6a75f82c5a9ed96e509288f9801fcf09 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_LysMethylation/variables/variables.index\r\n> af5a7f293c6ff9076cfae95ca5ec502f ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Malonylation/keras_metadata.pb\r\n> 7509f163d853a146e0d3bc940c068d1e ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Malonylation/saved_model.pb\r\n> 3bead96456e9b94a8f34a074f08fdbec ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Malonylation/variables/variables.data-00000-of-00001\r\n> 3d4ca455e89d1634ec6f2bdc4aa88a82 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Malonylation/variables/variables.index\r\n> fa8a2b15074f6209f609caf4f4eb6208 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_NlinkedGlycosylation/keras_metadata.pb\r\n> fb42b80ee28d7d958568437b719c1403 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_NlinkedGlycosylation/saved_model.pb\r\n> d062ff307a809e23233978cc7bb52289 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_NlinkedGlycosylation/variables/variables.data-00000-of-00001\r\n> cde9c47924cac1993272e536a0d4bc4a ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_NlinkedGlycosylation/variables/variables.index\r\n> e6ea7213fb226882c8a52518ec5fb89a ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_OlinkedGlycosylation/keras_metadata.pb\r\n> e4ccc190952594a67ecad7b1160247f2 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_OlinkedGlycosylation/saved_model.pb\r\n> 6729a7e4ca9b9f089df909d6df2eaf66 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_OlinkedGlycosylation/variables/variables.data-00000-of-00001\r\n> 67fdaf070a3e1f3c4588c5773bf1c023 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_OlinkedGlycosylation/variables/variables.index\r\n> 17cafa176a6244b62c18f52d04fb146e ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Phosphorylation/keras_metadata.pb\r\n> c444b8bf250af447fcf484822a19ca56 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Phosphorylation/saved_model.pb\r\n> 143f8842adf13517af1f5abe83fe8101 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Phosphorylation/variables/variables.data-00000-of-00001\r\n> bfddd4609c4a8dedecd1ec4bba4faa83 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Phosphorylation/variables/variables.index\r\n> 526c5121d705a4dc7c25674a781877e1 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ProHydroxylation/keras_metadata.pb\r\n> 05402411f7c4e931d9743fc318402781 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ProHydroxylation/saved_model.pb\r\n> 6072e91d46ed0d4ddfc03c8c7697572d ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ProHydroxylation/variables/variables.data-00000-of-00001\r\n> 826a1a7c5856852920fd6aec3d234f23 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_ProHydroxylation/variables/variables.index\r\n> ce20c22bb6b0a1cc072be383c737096a ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_SNitrosylation/keras_metadata.pb\r\n> 94b289b9d1b7063051248713ba1c344a ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_SNitrosylation/saved_model.pb\r\n> 8dd97cf58225b02857fc156c00ea9654 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_SNitrosylation/variables/variables.data-00000-of-00001\r\n> 92a0d46e916982c09c764b4498e595b1 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_SNitrosylation/variables/variables.index\r\n> 46768a7571a816cd87af58b20478acc3 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Succinylation/keras_metadata.pb\r\n> ffca7dac8b3a0fdf197e09a66e08cecf ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Succinylation/saved_model.pb\r\n> d17f40bee2d097033e939f18dbbf867c ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Succinylation/variables/variables.data-00000-of-00001\r\n> f80f80be77dcc81fd3ba22205f265a91 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Succinylation/variables/variables.index\r\n> 4a9c81d43a7d61a1b5e39e470b2431fa ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Sumoylation/keras_metadata.pb\r\n> ee04e015ce239b83d81a1bfd1ca6f076 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Sumoylation/saved_model.pb\r\n> 5e55619295d65b34ea4e58c920414eca ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Sumoylation/variables/variables.data-00000-of-00001\r\n> 447ddc99669379d59ca3ad9bdf3a55eb ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Sumoylation/variables/variables.index\r\n> dc2b9484468480595da22b85fc8e2232 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Ubiquitination/keras_metadata.pb\r\n> 07e3efae28f42719b0fa8a6239aa30cd ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Ubiquitination/saved_model.pb\r\n> 70fb7c08e0b423f88894e3e26eb1f33d ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Ubiquitination/variables/variables.data-00000-of-00001\r\n> 98be812d7ae5bd4b7d9d5835425cdfdf ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/Model_Ubiquitination/variables/variables.index\r\n> f0e7b439205565b25f2af9d8b73dbf62 ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/predict_PTMs/README.md\r\n> 528d46bb48c7872e055640a23058c6ab ./protocol_data/tensorflow_graphs/tensorflow_graph_repo_submodule/README.md\r\n",
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"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62017/mp_dock/log and /home/benchmark/working_dir/master:62018/mp_dock/log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/mp_dock/log /home/benchmark/working_dir/master:62018/mp_dock/log\r\n73,74c73,74\r\n< protocols.docking.membrane.MPDockingMover: low_res score function for docking: 0x3f9e6c8\r\n< protocols.docking.membrane.MPDockingMover: high_res score function for docking: 0x4032f08\r\n---\r\n> protocols.docking.membrane.MPDockingMover: low_res score function for docking: 0x4c7a6d8\r\n> protocols.docking.membrane.MPDockingMover: high_res score function for docking: 0x4d0ef18\r\n",
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},
"mp_dock_ensemble": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62017/mp_dock_ensemble/log and /home/benchmark/working_dir/master:62018/mp_dock_ensemble/log differ\r\nFiles /home/benchmark/working_dir/master:62017/mp_dock_ensemble/ROSETTA_CRASH.log and /home/benchmark/working_dir/master:62018/mp_dock_ensemble/ROSETTA_CRASH.log differ\r\nFiles /home/benchmark/working_dir/master:62017/mp_dock_ensemble/.test_did_not_run.log and /home/benchmark/working_dir/master:62018/mp_dock_ensemble/.test_did_not_run.log differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/mp_dock_ensemble/log /home/benchmark/working_dir/master:62018/mp_dock_ensemble/log\r\n88,89c88,89\r\n< protocols.docking.membrane.MPDockingMover: low_res score function for docking: 0x5915978\r\n< protocols.docking.membrane.MPDockingMover: high_res score function for docking: 0x5a509d8\r\n---\r\n> protocols.docking.membrane.MPDockingMover: low_res score function for docking: 0x6cb1548\r\n> protocols.docking.membrane.MPDockingMover: high_res score function for docking: 0x6ce8c78\r\n260,276c260,276\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(backtrace_string(int)+0x34) [0x7f4ca7d01ae4]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(utility::excn::Exception::Exception(char const*, int, std::string const&)+0x55) [0x7f4ca7d2ce95]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(utility::UtilityExitException::UtilityExitException(char const*, int, std::string const&)+0x67) [0x7f4ca7d05d37]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(utility::exit(char const*, int, std::string const&, int)+0x31) [0x7f4ca7d05c81]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::pose_from_file(core::pose::Pose&, core::chemical::ResidueTypeSet const&, std::string const&, core::import_pose::ImportPoseOptions const&, bool, core::import_pose::FileType)+0xc31) [0x7f4cad5ac4e1]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(core::chemical::ResidueTypeSet const&, utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0xa8) [0x7f4cad5ae5b8]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0x91) [0x7f4cad5ae3e1]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::load_ensemble()+0x50d) [0x7f4cb3405afd]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::DockingEnsemble(unsigned long, unsigned long, unsigned long, std::string const&, std::string const&, std::shared_ptr<core::scoring::ScoreFunction const>, std::shared_ptr<core::scoring::ScoreFunction const>)+0x30e) [0x7f4cb340502e]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(void __gnu_cxx::new_allocator<protocols::docking::DockingEnsemble>::construct<protocols::docking::DockingEnsemble, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(protocols::docking::DockingEnsemble*, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0xea) [0x7f4cb34783ea]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(std::__shared_count<(__gnu_cxx::_Lock_policy)2>::__shared_count<protocols::docking::DockingEnsemble, std::allocator<protocols::docking::DockingEnsemble>, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(std::_Sp_make_shared_tag, protocols::docking::DockingEnsemble*, std::allocator<protocols::docking::DockingEnsemble> const&, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0x8b) [0x7f4cb34782ab]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::finalize_setup(core::pose::Pose&)+0x1f58) [0x7f4cb3464198]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::apply(core::pose::Pose&)+0x3cb) [0x7f4cb346bbcb]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::membrane::MPDockingMover::apply(core::pose::Pose&)+0x6cc) [0x7f4cb34da4ac]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::run_one_job(std::shared_ptr<protocols::moves::Mover>&, long, std::string&, std::string&, unsigned long&, unsigned long&, bool)+0x2378) [0x7f4caddf0048]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::go_main(std::shared_ptr<protocols::moves::Mover>)+0x11f) [0x7f4caddeca1f]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::FileSystemJobDistributor::go(std::shared_ptr<protocols::moves::Mover>)+0x64) [0x7f4cadde68e4]\r\n---\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(backtrace_string(int)+0x34) [0x7fcf1baedae4]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::excn::Exception::Exception(char const*, int, std::string const&)+0x55) [0x7fcf1bb18e95]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::UtilityExitException::UtilityExitException(char const*, int, std::string const&)+0x67) [0x7fcf1baf1d37]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::exit(char const*, int, std::string const&, int)+0x31) [0x7fcf1baf1c81]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::pose_from_file(core::pose::Pose&, core::chemical::ResidueTypeSet const&, std::string const&, core::import_pose::ImportPoseOptions const&, bool, core::import_pose::FileType)+0xc31) [0x7fcf213984e1]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(core::chemical::ResidueTypeSet const&, utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0xa8) [0x7fcf2139a5b8]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0x91) [0x7fcf2139a3e1]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::load_ensemble()+0x50d) [0x7fcf271f1afd]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::DockingEnsemble(unsigned long, unsigned long, unsigned long, std::string const&, std::string const&, std::shared_ptr<core::scoring::ScoreFunction const>, std::shared_ptr<core::scoring::ScoreFunction const>)+0x30e) [0x7fcf271f102e]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(void __gnu_cxx::new_allocator<protocols::docking::DockingEnsemble>::construct<protocols::docking::DockingEnsemble, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(protocols::docking::DockingEnsemble*, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0xea) [0x7fcf272643ea]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(std::__shared_count<(__gnu_cxx::_Lock_policy)2>::__shared_count<protocols::docking::DockingEnsemble, std::allocator<protocols::docking::DockingEnsemble>, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(std::_Sp_make_shared_tag, protocols::docking::DockingEnsemble*, std::allocator<protocols::docking::DockingEnsemble> const&, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0x8b) [0x7fcf272642ab]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::finalize_setup(core::pose::Pose&)+0x1f58) [0x7fcf27250198]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::apply(core::pose::Pose&)+0x3cb) [0x7fcf27257bcb]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::membrane::MPDockingMover::apply(core::pose::Pose&)+0x6cc) [0x7fcf272c64ac]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::run_one_job(std::shared_ptr<protocols::moves::Mover>&, long, std::string&, std::string&, unsigned long&, unsigned long&, bool)+0x2378) [0x7fcf21bdc048]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::go_main(std::shared_ptr<protocols::moves::Mover>)+0x11f) [0x7fcf21bd8a1f]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::FileSystemJobDistributor::go(std::shared_ptr<protocols::moves::Mover>)+0x64) [0x7fcf21bd28e4]\r\n278c278\r\n< /lib64/libc.so.6(__libc_start_main+0xf5) [0x7f4ca4bdb555]\r\n---\r\n> /lib64/libc.so.6(__libc_start_main+0xf5) [0x7fcf189c7555]\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/mp_dock_ensemble/ROSETTA_CRASH.log /home/benchmark/working_dir/master:62018/mp_dock_ensemble/ROSETTA_CRASH.log\r\n8,9c8,9\r\n< [ROSETTA_VERSION]: 2023.21.post.dev+7.HEAD.5c02290\r\n< [COMMIT_DATE]: 2023-06-06T10:32:41\r\n---\r\n> [ROSETTA_VERSION]: 2023.21.post.dev+41.HEAD.9fbc647\r\n> [COMMIT_DATE]: 2023-06-12T15:45:27\r\n22,38c22,38\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(backtrace_string(int)+0x34) [0x7f4ca7d01ae4]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(utility::excn::Exception::Exception(char const*, int, std::string const&)+0x55) [0x7f4ca7d2ce95]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(utility::UtilityExitException::UtilityExitException(char const*, int, std::string const&)+0x67) [0x7f4ca7d05d37]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libutility.so(utility::exit(char const*, int, std::string const&, int)+0x31) [0x7f4ca7d05c81]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::pose_from_file(core::pose::Pose&, core::chemical::ResidueTypeSet const&, std::string const&, core::import_pose::ImportPoseOptions const&, bool, core::import_pose::FileType)+0xc31) [0x7f4cad5ac4e1]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(core::chemical::ResidueTypeSet const&, utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0xa8) [0x7f4cad5ae5b8]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0x91) [0x7f4cad5ae3e1]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::load_ensemble()+0x50d) [0x7f4cb3405afd]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::DockingEnsemble(unsigned long, unsigned long, unsigned long, std::string const&, std::string const&, std::shared_ptr<core::scoring::ScoreFunction const>, std::shared_ptr<core::scoring::ScoreFunction const>)+0x30e) [0x7f4cb340502e]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(void __gnu_cxx::new_allocator<protocols::docking::DockingEnsemble>::construct<protocols::docking::DockingEnsemble, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(protocols::docking::DockingEnsemble*, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0xea) [0x7f4cb34783ea]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(std::__shared_count<(__gnu_cxx::_Lock_policy)2>::__shared_count<protocols::docking::DockingEnsemble, std::allocator<protocols::docking::DockingEnsemble>, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(std::_Sp_make_shared_tag, protocols::docking::DockingEnsemble*, std::allocator<protocols::docking::DockingEnsemble> const&, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0x8b) [0x7f4cb34782ab]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::finalize_setup(core::pose::Pose&)+0x1f58) [0x7f4cb3464198]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::apply(core::pose::Pose&)+0x3cb) [0x7f4cb346bbcb]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::membrane::MPDockingMover::apply(core::pose::Pose&)+0x6cc) [0x7f4cb34da4ac]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::run_one_job(std::shared_ptr<protocols::moves::Mover>&, long, std::string&, std::string&, unsigned long&, unsigned long&, bool)+0x2378) [0x7f4caddf0048]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::go_main(std::shared_ptr<protocols::moves::Mover>)+0x11f) [0x7f4caddeca1f]\r\n< ROSETTA/source/build/src/release_debug_no_symbols/linux/5.4/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::FileSystemJobDistributor::go(std::shared_ptr<protocols::moves::Mover>)+0x64) [0x7f4cadde68e4]\r\n---\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(backtrace_string(int)+0x34) [0x7fcf1baedae4]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::excn::Exception::Exception(char const*, int, std::string const&)+0x55) [0x7fcf1bb18e95]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::UtilityExitException::UtilityExitException(char const*, int, std::string const&)+0x67) [0x7fcf1baf1d37]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libutility.so(utility::exit(char const*, int, std::string const&, int)+0x31) [0x7fcf1baf1c81]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::pose_from_file(core::pose::Pose&, core::chemical::ResidueTypeSet const&, std::string const&, core::import_pose::ImportPoseOptions const&, bool, core::import_pose::FileType)+0xc31) [0x7fcf213984e1]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(core::chemical::ResidueTypeSet const&, utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0xa8) [0x7fcf2139a5b8]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libcore.6.so(core::import_pose::poses_from_files(utility::vector1<std::string, std::allocator<std::string> > const&, bool, core::import_pose::FileType)+0x91) [0x7fcf2139a3e1]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::load_ensemble()+0x50d) [0x7fcf271f1afd]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingEnsemble::DockingEnsemble(unsigned long, unsigned long, unsigned long, std::string const&, std::string const&, std::shared_ptr<core::scoring::ScoreFunction const>, std::shared_ptr<core::scoring::ScoreFunction const>)+0x30e) [0x7fcf271f102e]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(void __gnu_cxx::new_allocator<protocols::docking::DockingEnsemble>::construct<protocols::docking::DockingEnsemble, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(protocols::docking::DockingEnsemble*, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0xea) [0x7fcf272643ea]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(std::__shared_count<(__gnu_cxx::_Lock_policy)2>::__shared_count<protocols::docking::DockingEnsemble, std::allocator<protocols::docking::DockingEnsemble>, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&>(std::_Sp_make_shared_tag, protocols::docking::DockingEnsemble*, std::allocator<protocols::docking::DockingEnsemble> const&, unsigned long&, unsigned long&, unsigned long const&, std::string&, char const (&) [15], std::shared_ptr<core::scoring::ScoreFunction>&, std::shared_ptr<core::scoring::ScoreFunction>&)+0x8b) [0x7fcf272642ab]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::finalize_setup(core::pose::Pose&)+0x1f58) [0x7fcf27250198]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::DockingProtocol::apply(core::pose::Pose&)+0x3cb) [0x7fcf27257bcb]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols_h.5.so(protocols::docking::membrane::MPDockingMover::apply(core::pose::Pose&)+0x6cc) [0x7fcf272c64ac]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::run_one_job(std::shared_ptr<protocols::moves::Mover>&, long, std::string&, std::string&, unsigned long&, unsigned long&, bool)+0x2378) [0x7fcf21bdc048]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::JobDistributor::go_main(std::shared_ptr<protocols::moves::Mover>)+0x11f) [0x7fcf21bd8a1f]\r\n> ROSETTA/source/build/src/release_debug_no_symbols/linux/3.10/64/x86/clang/3.4/default/libprotocols.1.so(protocols::jd2::FileSystemJobDistributor::go(std::shared_ptr<protocols::moves::Mover>)+0x64) [0x7fcf21bd28e4]\r\n40c40\r\n< /lib64/libc.so.6(__libc_start_main+0xf5) [0x7f4ca4bdb555]\r\n---\r\n> /lib64/libc.so.6(__libc_start_main+0xf5) [0x7fcf189c7555]\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/mp_dock_ensemble/.test_did_not_run.log /home/benchmark/working_dir/master:62018/mp_dock_ensemble/.test_did_not_run.log\r\n1c1\r\n< *** Test mp_dock_ensemble did not run! Check your --mode flag and paths. [2023-06-06 11:41:55.595834]\r\n---\r\n> *** Test mp_dock_ensemble did not run! Check your --mode flag and paths. [2023-06-12 14:05:58.760916]\r\n\nCompare(...): Marking as \"Script failed\" due to presense of .test_did_not_run.log or .test_got_timeout_kill.log file!\n",
"state": "script failed"
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"mp_dock_prepack": {
"log": "",
"state": "passed"
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"mp_dock_setup": {
"log": "",
"state": "passed"
},
"mp_domain_assembly": {
"log": "",
"state": "passed"
},
"mp_domain_assembly_FtsQ": {
"log": "",
"state": "passed"
},
"mp_find_interface": {
"log": "",
"state": "passed"
},
"mp_interface_statistics": {
"log": "",
"state": "passed"
},
"mp_ligand_interface": {
"log": "",
"state": "passed"
},
"mp_loadtime": {
"log": "",
"state": "passed"
},
"mp_mutate_relax": {
"log": "",
"state": "passed"
},
"mp_mutate_repack": {
"log": "",
"state": "passed"
},
"mp_quick_relax": {
"log": "",
"state": "passed"
},
"mp_quick_relax_ref2015_memb": {
"log": "",
"state": "passed"
},
"mp_range_relax": {
"log": "",
"state": "passed"
},
"mp_relax": {
"log": "",
"state": "passed"
},
"mp_score_jd2": {
"log": "",
"state": "passed"
},
"mp_span_ang_ref2015_memb": {
"log": "",
"state": "passed"
},
"mp_span_from_pdb": {
"log": "",
"state": "passed"
},
"mp_symdock": {
"log": "",
"state": "passed"
},
"mp_symmetry_load": {
"log": "",
"state": "passed"
},
"mp_transform": {
"log": "",
"state": "passed"
},
"mp_transform_optimize": {
"log": "",
"state": "passed"
},
"mp_vis_emb": {
"log": "",
"state": "passed"
},
"mpi_multistate_design": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_4level": {
"log": "",
"state": "passed"
},
"mpi_simple_cycpep_predict_computing_pnear_to_all": {
"log": "",
"state": "passed"
},
"mpil_find_pore_ahelical": {
"log": "",
"state": "passed"
},
"mpil_find_pore_bbarrel": {
"log": "",
"state": "passed"
},
"mpil_load_implicit_lipids": {
"log": "",
"state": "passed"
},
"mr_protocols": {
"log": "",
"state": "passed"
},
"multistage_rosetta_scripts": {
"log": "",
"state": "passed"
},
"multistage_rosetta_scripts_clustering": {
"log": "",
"state": "passed"
},
"multithreaded_fastdesign": {
"log": "",
"state": "passed"
},
"multithreaded_fixbb": {
"log": "",
"state": "passed"
},
"multithreaded_interaction_graph_accuracy": {
"log": "",
"state": "passed"
},
"multithreaded_interaction_graph_accuracy_symm": {
"log": "",
"state": "passed"
},
"multithreaded_packrotamersmover": {
"log": "",
"state": "passed"
},
"mutate": {
"log": "",
"state": "passed"
},
"ncaa_fixbb": {
"log": "",
"state": "passed"
},
"ncbb_packer_palette": {
"log": "",
"state": "passed"
},
"netcharge_design": {
"log": "",
"state": "passed"
},
"netcharge_design_symm": {
"log": "",
"state": "passed"
},
"next_generation_KIC": {
"log": "",
"state": "passed"
},
"noe_assignment": {
"log": "",
"state": "passed"
},
"non-canonical_connectivities": {
"log": "",
"state": "passed"
},
"nonideal_rtmin": {
"log": "",
"state": "passed"
},
"nucleobase_sample_around": {
"log": "",
"state": "passed"
},
"number_of_residuetypes": {
"log": "",
"state": "passed"
},
"oligourea_design": {
"log": "",
"state": "passed"
},
"oligourea_predict": {
"log": "",
"state": "passed"
},
"oop_create": {
"log": "",
"state": "passed"
},
"oop_design": {
"log": "",
"state": "passed"
},
"oop_dock_design": {
"log": "",
"state": "passed"
},
"orbitals": {
"log": "",
"state": "passed"
},
"output_schema": {
"log": "Brief Diff:\nFiles /home/benchmark/working_dir/master:62017/output_schema/current_rosettascripts_schema.xsd and /home/benchmark/working_dir/master:62018/output_schema/current_rosettascripts_schema.xsd differ\r\n\n\nFull Diff:\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62017/output_schema/current_rosettascripts_schema.xsd /home/benchmark/working_dir/master:62018/output_schema/current_rosettascripts_schema.xsd\r\n4878a4879\r\n> <xs:element name=\"PTMPredictionMetric\" type=\"simple_metric_PTMPredictionMetric_type\"/>\r\n5604a5606,5639\r\n> </xs:documentation></xs:annotation>\r\n> </xs:attribute>\r\n> <xs:attribute name=\"name\" type=\"xs:string\">\r\n> <xs:annotation><xs:documentation xml:lang=\"en\">\r\n> The name given to this instance.\r\n> </xs:documentation></xs:annotation>\r\n> </xs:attribute>\r\n> </xs:complexType>\r\n> \r\n> <xs:complexType name=\"simple_metric_PTMPredictionMetric_type\" mixed=\"true\">\r\n> <xs:annotation><xs:documentation xml:lang=\"en\">\r\n> A metric for estimating the probability of a given site to be modified, as predicted by neural network.\r\n> \r\n> References and author information for the PTMPredictionMetric simple metric:\r\n> \r\n> PTMPredictionMetric SimpleMetric's author(s):\r\n> Moritz Ertelt, University of Leipzig [moritz.ertelt@gmail.com] (Wrote the PTMPredictionMetric.)\r\n> \r\n> \r\n> </xs:documentation></xs:annotation>\r\n> <xs:attribute name=\"custom_type\" type=\"xs:string\">\r\n> <xs:annotation><xs:documentation xml:lang=\"en\">\r\n> Allows multiple configured SimpleMetrics of a single type to be called in a single RunSimpleMetrics and SimpleMetricFeatures. \r\n> The custom_type name will be added to the data tag in the scorefile or features database.\r\n> </xs:documentation></xs:annotation>\r\n> </xs:attribute>\r\n> <xs:attribute name=\"modification\" type=\"xs:string\" use=\"required\">\r\n> <xs:annotation><xs:documentation xml:lang=\"en\">\r\n> The post-translational modification to predict. Available options are: Acetylation, ArgMethylation, Citrullination, Crotonylation, Deamidation, GammaCarboxyGlutamicAcid, Glutarylation, Glutathionylation, Hydroxylation, LysMethylation, Malonylation, NlinkedGlycosylation, OlinkedGlycosylation, Phosphorylation, SNitroysylation, Succinylation, Sumoylation, Ubiquitination\r\n> </xs:documentation></xs:annotation>\r\n> </xs:attribute>\r\n> <xs:attribute name=\"residue_selector\" type=\"xs:string\">\r\n> <xs:annotation><xs:documentation xml:lang=\"en\">\r\n> A residue selector specifying which residue or residues to predict on. The name of a previously declared residue selector or a logical expression of AND, NOT (!), OR, parentheses, and the names of previously declared residue selectors. Any capitalization of AND, NOT, and OR is accepted. An exclamation mark can be used instead of NOT. Boolean operators have their traditional priorities: NOT then AND then OR. For example, if selectors s1, s2, and s3 have been declared, you could write: 's1 or s2 and not s3' which would select a particular residue if that residue were selected by s1 or if it were selected by s2 but not by s3.\r\n",
"state": "failed"
},
"pH_mode": {
"log": "",
"state": "passed"
},
"pepspec_anchor_dock": {
"log": "",
"state": "passed"
},
"peptiderive": {
"log": "",
"state": "passed"
},
"per_residue_energies": {
"log": "",
"state": "passed"
},
"per_residue_sc_sasa": {
"log": "",
"state": "passed"
},
"per_residue_solvent_exposure": {
"log": "",
"state": "passed"
},
"pertmin": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_copying_pitch": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_epsilon": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_setting": {
"log": "",
"state": "passed"
},
"perturb_helical_bundle_z_offset": {
"log": "",
"state": "passed"
},
"phiselector": {
"log": "",
"state": "passed"
},
"phosphonate": {
"log": "",
"state": "passed"
},
"phosphorylation": {
"log": "",
"state": "passed"
},
"place_simultaneously": {
"log": "",
"state": "passed"
},
"pmut_scan": {
"log": "",
"state": "passed"
},
"pna": {
"log": "",
"state": "passed"
},
"pna_base_pairs": {
"log": "",
"state": "passed"
},
"pocket_measure": {
"log": "",
"state": "passed"
},
"pocket_relax": {
"log": "",
"state": "passed"
},
"pocket_suggest_targets": {
"log": "",
"state": "passed"
},
"polyaramid_test_trivial": {
"log": "",
"state": "passed"
},
"pose_sewing": {
"log": "",
"state": "passed"
},
"posttranslationalmod_io": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteA": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteB": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteC": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteD": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteE": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteF": {
"log": "",
"state": "passed"
},
"ppi_v3_suiteG": {
"log": "",
"state": "passed"
},
"ppk": {
"log": "",
"state": "passed"
},
"protocol_metric": {
"log": "",
"state": "passed"
},
"pwsho": {
"log": "",
"state": "passed"
},
"pymol_cif": {
"log": "",
"state": "passed"
},
"r_pdb2top": {
"log": "",
"state": "passed"
},
"r_rmsf": {
"log": "",
"state": "passed"
},
"ralford_dump_rotamers": {
"log": "",
"state": "passed"
},
"rama_mutation_selector": {
"log": "",
"state": "passed"
},
"range_relax_w_cst": {
"log": "",
"state": "passed"
},
"rb_recces": {
"log": "",
"state": "passed"
},
"rdkit_metrics": {
"log": "",
"state": "passed"
},
"read_polymeric_components": {
"log": "",
"state": "passed"
},
"readin_dna_rna_protein": {
"log": "",
"state": "passed"
},
"real_virt_mover": {
"log": "",
"state": "passed"
},
"recces_turner": {
"log": "",
"state": "passed"
},
"recon_design": {
"log": "",
"state": "passed"
},
"recon_design_mpi": {
"log": "",
"state": "passed"
},
"referencepose_mutateresidue": {
"log": "",
"state": "passed"
},
"relax_w_allatom_cst": {
"log": "",
"state": "passed"
},
"remodel_disulfides_rosettascripts": {
"log": "",
"state": "passed"
},
"remodel_helical_repeat": {
"log": "",
"state": "passed"
},
"repack_with_elec_dens": {
"log": "",
"state": "passed"
},
"repeat_propagate": {
"log": "",
"state": "passed"
},
"repeat_propagate_v2": {
"log": "",
"state": "passed"
},
"repeat_propagate_v3": {
"log": "",
"state": "passed"
},
"repeat_relax": {
"log": "",
"state": "passed"
},
"replica_docking": {
"log": "",
"state": "passed"
},
"report_hbonds_for_plugin": {
"log": "",
"state": "passed"
},
"res_lipo_ref2015_memb": {
"log": "",
"state": "passed"
},
"residue_energy_breakdown": {
"log": "",
"state": "passed"
},
"resource_database_locator": {
"log": "",
"state": "passed"
},
"restype_converter": {
"log": "",
"state": "passed"
},
"rings": {
"log": "",
"state": "passed"
},
"rna_add_WC_stats": {
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"state": "passed"
},
"rna_assemble": {
"log": "",
"state": "passed"
},
"rna_cluster": {
"log": "",
"state": "passed"
},
"rna_denovo": {
"log": "",
"state": "passed"
},
"rna_denovo_RNP_low_res": {
"log": "",
"state": "passed"
},
"rna_denovo_RNP_refine_native": {
"log": "",
"state": "passed"
},
"rna_denovo_base_pair_constraints": {
"log": "",
"state": "passed"
},
"rna_denovo_base_pair_setup": {
"log": "",
"state": "passed"
},
"rna_denovo_bps": {
"log": "",
"state": "passed"
},
"rna_denovo_bps_fixed_ends": {
"log": "",
"state": "passed"
},
"rna_denovo_bps_helix_ends": {
"log": "",
"state": "passed"
},
"rna_denovo_dna_bridge": {
"log": "",
"state": "passed"
},
"rna_denovo_fragment_homology_exclusion": {
"log": "",
"state": "passed"
},
"rna_denovo_grid_vdw": {
"log": "",
"state": "passed"
},
"rna_denovo_lariat": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_2in_dens": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_5P_j12_leadzyme": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_RNP_2prot_dens": {
"log": "",
"state": "passed"
},
"rna_denovo_new_FT_rna_two_chains": {
"log": "",
"state": "passed"
},
"rna_denovo_new_libs": {
"log": "",
"state": "passed"
},
"rna_denovo_symm_hack": {
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"state": "passed"
},
"rna_design": {
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"state": "passed"
},
"rna_farfar_block_stack": {
"log": "",
"state": "passed"
},
"rna_farfar_noncanonical_hairpin": {
"log": "",
"state": "passed"
},
"rna_farfar_syn_chi_res": {
"log": "",
"state": "passed"
},
"rna_helix": {
"log": "",
"state": "passed"
},
"rna_minimize": {
"log": "",
"state": "passed"
},
"rna_minimize_6D_loop_close": {
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"state": "passed"
},
"rna_motif": {
"log": "",
"state": "passed"
},
"rna_predict_chem_map": {
"log": "",
"state": "passed"
},
"rna_puzzle11_H2H3H4_run3_connectU40": {
"log": "",
"state": "passed"
},
"rna_puzzle12_P5P6P7_DMS": {
"log": "",
"state": "passed"
},
"rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation": {
"log": "",
"state": "passed"
},
"rna_puzzle5_p2_GAAA_mini": {
"log": "",
"state": "passed"
},
"rna_puzzle6_U75G76A77_on_thread1": {
"log": "",
"state": "passed"
},
"rna_puzzle6_j67_into_p6p7rigidbody_thread1": {
"log": "",
"state": "passed"
},
"rna_ribosome_tether": {
"log": "",
"state": "passed"
},
"rna_score": {
"log": "",
"state": "passed"
},
"rna_screen_phosphates": {
"log": "",
"state": "passed"
},
"rna_suitename": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_mut": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_setup": {
"log": "",
"state": "passed"
},
"rnp_ddg_calc_wt": {
"log": "",
"state": "passed"
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