Test: linux.clang.integration.release_debug_no_symbols 「view this page in B3 βῆτα server」
Branch: master 「revision: №62064」
Test files: 「file-system-view」 「file-list-view」
Daemon: hojo-1     Started at: 2023-12-08 02:10:07     Run time: 1:47:21      State: failed

Failed sub-tests (click for more details):
cmaes_minimizer energy_based_clustering_alpha_aa_scorefile features ga_ligand_dock_macrocycle output_schema

Test Log

Sub-Tests Results

All sub-tests

AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences AlterSpecDisruption AnchorFinder AnchoredDesign AnchoredPDBCreator BFactorSelector BuildPeptide CCD_loop_closure CCS_PARCS ConsensusLoopDesign ContactMolecularSurface DARC_electrostatics DARC_make_ray_files DARC_sampling_on_the_fly DARC_shapeonly DNA_methylation DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FavorSequenceProfileMover FilterReportAsPoseExtraScoresMover FlipChirality FloppyTail HDXEnergy HOW_TO_MAKE_TESTS HelixBendFilter InterfaceAnalyzer InterfaceAnalyzer_allscores InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_metrics InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile InterfaceAnalyzer_tracer InterfaceDdG KIC_refine KIC_vicinity KIC_with_fragments LayerDesign LayerDesign_symm LayerSelector LoopAnalyzer LoopLengthChange ModifyVariantTypeMover MutateResidue_selector N-terminal_acetylation OversaturatedHbondAcceptorFilter PDB_diagnostic PTMPrediction PeptideCyclizeMover PeptideStubMover_prependRepeat PolarDesign2019 ProQ RBOut ReadResfile_with_selector RescorePDDF RescoreSAXS ResidueDisorder RunSimpleMetric_b_factor_test SID_ERMS_prediction SID_rescore SSElementSelector SecondaryStructureFilter SnugDock StrandCurvatureByLevels StrandHelixGeometryFilter ThreadingInputter TryDisulfPermutations UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm UnsatSelector Werror_check abinitio abinitio_with_trRosetta add_constraints_to_current_conformation add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data angle_recovery_stats antibody_H3 antibody_H3_camelid antibody_cc antibody_designer antibody_designer_camelid antibody_designer_xml antibody_graft antibody_numbering_converter app_exception_handling assemble_domains_jd2 auto-drrafter_final_results auto-drrafter_setup_run_R1 auto-drrafter_setup_run_R2 auto-drrafter_setup_run_R3 autoNOE_rosetta autosetup_metals_centroid backbonegridsampler backbonegridsampler_multiresidue backbonegridsampler_nstruct_mode backrub backrub_interface_ddG backrub_pilot balancedKIC basic_gcn_tensorflow_test batch_relax beta_strand_homodimer bin_initialization bin_perturbation binselector binselector_probins broker broker_membrane bundlegridsampler bundlegridsampler_composition_energy bundlegridsampler_composition_energy_fract_range bundlegridsampler_copy_pitch bundlegridsampler_design bundlegridsampler_design_nstruct_mode bundlegridsampler_epsilon bundlegridsampler_multirepeat bundlegridsampler_z0_offset bundlegridsampler_z1_offset bundlereporter_filter burial_measure_centroid buried_area_filter buried_unsat_kinemage buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm c-term_conjugation calculate_sasa carbohydrates cart_min_glycans cartesianddg case_sensitive_filenames ccd_ends_graft_mover_rs central_class_modification centroid_disulfide_scores centroid_from_fullatom cl_complex_rescore classic_relax_1a19 cleanAlignment cluster cluster_alns cluster_calibur cluster_filter cmaes_minimizer coarse_rna_scoring code_template_tests_app code_template_tests_citations code_template_tests_src code_template_tests_unit coenzymes combine_silent composition_energy_layers constel constraints_metric contactMap control_flow_rs copy_rotamer_mover count_cycpep_sequences coupled_moves crankshaft_flip create_clash-based_repack_shell create_sequence_motif crossaln crosslinkermover_1_4_bbmb_asymm crosslinkermover_1_4_bbmb_c2_symmetry crosslinkermover_1_4_bbmb_s2_symm crosslinkermover_octahedral crosslinkermover_octahedral_s2_symm crosslinkermover_square_planar crosslinkermover_square_planar_d2_symm crosslinkermover_square_pyramidal crosslinkermover_tetrahedral_metal crosslinkermover_tetrahedral_metal_asp crosslinkermover_tetrahedral_metal_c2_symmetry crosslinkermover_tetrahedral_metal_d2_symmetry crosslinkermover_thioether crosslinkermover_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cs_rosetta_rna cst_info cstfile_to_theozyme_pdb custom_basetype_packer_palette cyclization cycpep_design_pipeline cycpep_rdkit_metric cycpep_rigid_body_permutation_mover cycpep_symmetry_filter d_workflow database_jd2_compact_io database_jd2_io database_md5 database_session_resource ddG_ensemble ddG_of_mutation ddG_scan ddG_sym density_denovo density_refine density_refine_symm density_tools design_glycans design_w_custom_palette-CAAs design_w_custom_palette-NCAAs design_w_custom_palette-RNA dgdp_aio dgdp_script dihedral_constraint_generator distances disulfidize_beta_cys dna_interface_design dock_glycans dock_with_hotspot_place_simultaneously docking_distance_constraints docking_ensemble docking_ensemble_prepack docking_full_protocol docking_local_refine docking_local_refine_min docking_low_res docking_prepack docking_site_constraints doug_dock_design_min_mod2_cal_cal drrafter_error_estimation drrafter_run drrafter_setup drrafter_setup_build_missing drrafter_setup_protein_dock drrafter_setup_real_test_H drrafter_setup_real_test_H_no_init drrafter_setup_ribosome_test drrafter_setup_simple duplicate_header_guards energy_based_clustering_alpha_aa energy_based_clustering_alpha_aa_bin_analysis energy_based_clustering_alpha_aa_dihedral energy_based_clustering_alpha_aa_scorefile entropy_correction enumerative_sampling enzdes enzscore_filter_dimetal enzscore_filter_dimetal_sym enzscore_filter_ligand enzscore_filter_metal enzscore_filter_metal_sym erraser_minimize esm_model_perplexity evolution exclusively_shared_jumps explicit_membrane extract_atomtree_diffs extract_pdbs farfar_mrna farnesyl fast_relax fast_relax_scripts favor_coupling_tensor favor_native_residue features features_database_schema features_parallel features_pdb features_pdb_mpi features_postgres features_scientific_benchmark fiber_diffraction fiber_diffraction_fad fit_helixparams fit_helixparams_a3b fit_helixparams_rms fix_alignment_to_match_pdb fixbb flexpepdock flexpepdock_abinitio fold_and_dock fold_cst_new fold_from_loops fragment_picker fragmentpicker_integration_demo fuzzy ga_ligand_dock ga_ligand_dock_amino_acid ga_ligand_dock_macrocycle gen_apo_grids gen_lig_grids generate_6Dloopclose genkic_bin_perturbing genkic_bin_sampling genkic_bin_setting genkic_dihedral_copying genkic_lowmemory_mode genkic_rama_filter genkic_ramaprepro_sampling genkic_sugars geometric_solvation glycan_anomers glycan_clash_check glycan_refinment glycan_relax glycan_sequon_scanner glycan_tree_relax glycomutagenesis glycopeptidedocking glycopeptidedocking_diglyco_long glycosylation grid_scores_features hbnet hbnet_asymm hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm hbnet_use_input_rot hbonds hbonds_sp2 hbondstoresidue_selector hbs_design header_using_check helical_bundle helical_bundle_nonideal helical_bundle_predict helical_bundle_predict_psipred helical_bundle_predict_psipred_with_helix_globals helical_bundle_predict_sequence helical_bundle_predict_skipping_residues helix_from_sequence hierarchical_clustering homodimer_fnd_ref2015_memb hotspot_graft hotspot_hashing hotspot_stub_constraints hshash_utils hts_io hybridization hydrate hydrate_relax identify_cdr_clusters ig_dump include_cc_check interaction_graph_summary_metric interface_energy inv_kin_lig_loop_design iphold jd2test_PDBIO jd2test_PDBin_mmCIFout jd2test_PDBin_mmCIFout_extra_data_separate jd2test_mmCIFIO jd2test_mmCIFin_PDBout job_definition_script_vars jrelax jscore kinemage_grid_output kinematic_looprelax ld_converter ligand_database_io ligand_dock_7cpa ligand_dock_cholesterol ligand_dock_ensemble ligand_dock_grid ligand_dock_script ligand_motif_design ligand_motif_discovery ligand_motif_identification ligand_water_docking longest_continuous_polar_segment_filter loop_creation loop_grower_N_term_symm loop_hash loop_modeling make_and_perturb_bundle_multirepeat make_exemplar make_mainchain_potential make_mainchain_potential_symm make_mainchain_potential_symm_preproline make_rot_lib make_symmdef_file match_1c2t match_1n9l match_6cpa match_xml measure_lcaa_radii membrane_abinitio metal_setup metalloprotein_abrelax metalloprotein_broker metropolis_hastings mf_fixbb_des mf_fixbb_sc mf_flexbb_sc mg_modeler mg_modeler_lores mhc_epitope mhc_epitope_nmer_preload min_pack_min minimize_6Dloopclose minimize_with_elec_dens mirror_symm mixed_monte_carlo mm_params mmtfIO_score_test molfile_to_params molfile_to_params_polymer motif_dna_packer_design motif_extraction motif_score_filter mp_dock mp_dock_ensemble mp_dock_prepack mp_dock_setup mp_domain_assembly mp_domain_assembly_FtsQ mp_find_interface mp_interface_statistics mp_ligand_interface mp_loadtime mp_mutate_relax mp_mutate_repack mp_quick_relax mp_quick_relax_ref2015_memb mp_range_relax mp_relax mp_score_jd2 mp_span_ang_ref2015_memb mp_span_from_pdb mp_symdock mp_symmetry_load mp_transform mp_transform_optimize mp_vis_emb mpi_multistate_design mpi_simple_cycpep_predict mpi_simple_cycpep_predict_4level mpi_simple_cycpep_predict_computing_pnear_to_all mpil_find_pore_ahelical mpil_find_pore_bbarrel mpil_load_implicit_lipids mr_protocols multistage_rosetta_scripts multistage_rosetta_scripts_clustering multithreaded_fastdesign multithreaded_fixbb multithreaded_interaction_graph_accuracy multithreaded_interaction_graph_accuracy_symm multithreaded_packrotamersmover mutate ncaa_fixbb ncbb_packer_palette netcharge_design netcharge_design_symm next_generation_KIC noe_assignment non-canonical_connectivities nonideal_rtmin nucleobase_sample_around number_of_residuetypes oligourea_design oligourea_predict oop_create oop_design oop_dock_design orbitals output_schema pH_mode pepspec_anchor_dock peptiderive per_residue_energies per_residue_sc_sasa per_residue_solvent_exposure pertmin perturb_helical_bundle perturb_helical_bundle_copying_pitch perturb_helical_bundle_epsilon perturb_helical_bundle_setting perturb_helical_bundle_z_offset phiselector phosphonate phosphorylation place_simultaneously pmut_scan pna pna_base_pairs pocket_measure pocket_relax pocket_suggest_targets polyaramid_test_trivial pose_sewing posttranslationalmod_io ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG ppk proteinMPNN_model_perplexity protocol_metric pwsho pymol_cif r_pdb2top r_rmsf ralford_dump_rotamers rama_mutation_selector range_relax_w_cst rb_recces rdkit_metrics read_polymeric_components readin_dna_rna_protein real_virt_mover recces_turner recon_design recon_design_mpi referencepose_mutateresidue relax_w_allatom_cst remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens repeat_propagate repeat_propagate_v2 repeat_propagate_v3 repeat_relax replica_docking report_hbonds_for_plugin res_lipo_ref2015_memb residue_energy_breakdown resource_database_locator restype_converter rings rna_add_WC_stats rna_assemble rna_cluster rna_denovo rna_denovo_RNP_low_res rna_denovo_RNP_refine_native rna_denovo_base_pair_constraints rna_denovo_base_pair_setup rna_denovo_bps rna_denovo_bps_fixed_ends rna_denovo_bps_helix_ends rna_denovo_dna_bridge rna_denovo_fragment_homology_exclusion rna_denovo_grid_vdw rna_denovo_lariat rna_denovo_new_FT_2in_dens rna_denovo_new_FT_5P_j12_leadzyme rna_denovo_new_FT_RNP_2prot_dens rna_denovo_new_FT_rna_two_chains rna_denovo_new_libs rna_denovo_symm_hack rna_design rna_farfar_block_stack rna_farfar_noncanonical_hairpin rna_farfar_syn_chi_res rna_helix rna_minimize rna_minimize_6D_loop_close rna_motif rna_predict_chem_map rna_puzzle11_H2H3H4_run3_connectU40 rna_puzzle12_P5P6P7_DMS rna_puzzle5_P15P3P8_noP4P6_4RB_G208phosphate_ligation rna_puzzle5_p2_GAAA_mini rna_puzzle6_U75G76A77_on_thread1 rna_puzzle6_j67_into_p6p7rigidbody_thread1 rna_ribosome_tether rna_score rna_screen_phosphates rna_suitename rnp_ddg_calc_mut rnp_ddg_calc_setup rnp_ddg_calc_wt rnp_ddg_finalize rnp_ddg_relax_command_1 rnp_ddg_relax_command_2 rnp_ddg_relax_finalize rnp_ddg_relax_setup rollmover rosetta_scripts_hbond_options rosetta_scripts_include rosetta_scripts_info rosetta_scripts_jd3 rosetta_scripts_loops rosetta_scripts_setup rosie_ligand_docking rotamer_probability rotamer_recovery rotamer_recovery_compare_two_structures rs_flexbbmoves rs_loophash sample_seq_from_probs sasa_metric_options score12_docking score_aln score_jd2 score_only_silence sdf_reader secondary_structure_output seed_ensemble_JD2_JI select_best_unique_ligand_poses selected_residue_count_metric sequence_profile_constraints sequence_recovery sequence_tolerance set_torsion shobuns silent2frag simple_cycpep_predict simple_cycpep_predict_1_4_bbmb simple_cycpep_predict_angle simple_cycpep_predict_anglelength simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_bondangle_bondlength simple_cycpep_predict_cartesian simple_cycpep_predict_cispro simple_cycpep_predict_cterm_isopeptide_lariat simple_cycpep_predict_cterm_isopeptide_lariat_tailless simple_cycpep_predict_design simple_cycpep_predict_nmethyl simple_cycpep_predict_nterm_isopeptide_lariat simple_cycpep_predict_nterm_isopeptide_lariat_tailless simple_cycpep_predict_octahedral_metal simple_cycpep_predict_peptoid simple_cycpep_predict_setting simple_cycpep_predict_sidechain_isopeptide simple_cycpep_predict_sidechain_isopeptide_reverse simple_cycpep_predict_square_planar_metal simple_cycpep_predict_square_pyramidal_metal simple_cycpep_predict_symm_gly simple_cycpep_predict_symmetric_sampling simple_cycpep_predict_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails simple_cycpep_predict_terminal_disulfide_tails_2 simple_cycpep_predict_tetrahedral_metal simple_cycpep_predict_tetrahedral_metal_asp simple_cycpep_predict_thioether_cis_sampling simple_cycpep_predict_thioether_lariat simple_cycpep_predict_tma simple_cycpep_predict_trigonal_planar_metal simple_cycpep_predict_trigonal_pyramidal_metal simple_dna_test simple_glycosylation simple_glycosylation_alternate_AAs simple_grafting_movers simple_hbondstoatom simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_in_protocols simple_metrics_per_residue site_constraint small_molecule_lattice_dock smallmover_resselector smart_annealer splice_in_4loops_longer splice_in_4loops_shorter splice_out_H1_H2_longer splice_out_H1_H2_same splice_out_H1_H2_shorter splice_out_H3_longer splice_out_H3_same splice_out_H3_shorter splice_out_L1_L2_longer splice_out_L1_L2_same splice_out_L1_L2_shorter splice_out_L3_longer splice_out_L3_same splice_out_L3_shorter startfrom_file stepwise_lores stored_residue_subset struc_set_fragment_picker super_aln supercharge surface_docking swa_protein_CCDclose swa_protein_build_at_Cterminus swa_protein_build_at_Nterminus swa_protein_cluster swa_protein_combine_loops swa_protein_loop_sampler swa_protein_prepack swa_rna_erraser swa_rna_gagu_01_append swa_rna_gagu_02_prepend swa_rna_gagu_03_append_to_silent swa_rna_gagu_04_clustering swa_rna_gagu_05_prepend_to_5primeterminus swa_rna_gagu_06_append_to_3primeterminus swa_rna_gagu_07_prepend_dinucleotide swa_rna_gagu_08_append_dinucleotide swa_rna_gagu_09_sample_virtual_ribose swa_rna_gagu_10_prepend_and_ccd_close swa_rna_gagu_11_append_and_ccd_close swa_rna_gagu_12_helix_addition swa_rna_gagu_13_chunk_combination_and_closure swa_rna_gagu_14_combine_long_loop_filtering swa_rna_gagu_15_combine_long_loop_sampling swa_rna_gagu_16_prepend_dinucleotide_on_dinucleotide swa_rna_gagu_17_append_floating_base swa_rna_gagu_18_rebuild_bulge swa_rna_gagu_19_prepend_floating_base_by_jump swa_rna_gagu_20_append_floating_base_by_jump swa_rna_gagu_21_prepend_dinucleotide_on_dinucleotide_by_jump swa_rna_gagu_22_prepend_and_kic_close swa_rna_gagu_23_append_and_kic_close swa_rna_loop_clusterer swa_rna_loop_sampler sweep_respair_energies swm_add_rosettascripts swm_beta_peptide_loop swm_build_full_model swm_dna_bridge swm_dna_loop swm_general_polymer_sampler swm_l_rna swm_protein_CCDmove swm_protein_from_scratch swm_protein_loop_sampler swm_protein_move_inside_coiledcoil_by_bond swm_protein_move_inside_helix_by_bond swm_protein_preminimize swm_rna_base_pair_constraints swm_rna_checkpoint_partition swm_rna_fourwayjunction swm_rna_loop_design swm_rna_move_align_dock swm_rna_move_inside_helix_by_bond swm_rna_move_inside_helix_by_jump swm_rna_move_two_strands swm_rna_nickedhelix swm_rna_protonated_adenosine swm_rna_singleloop swm_rna_srl_triplet symm_disulfidize symm_rotamer_boltzmann symmetric_cycpep_align_and_symmetrize symmetric_docking symmetrical_residue_selector symmetry_data_resource symmetry_multicomponent target_clash task_selector tcrmodel template_features tensorflow_connection_test tensorflow_manager tensorflow_simple_model_load_and_evaluate test1_benchmark test_computed_saxs_spectrum test_d_l_readin test_degreaser test_energy_method_options test_idealize test_rosetta_thread_manager_advanced_API test_rosetta_thread_manager_basic_API thermal_sampler thread_local_tracers_check threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs torsion_restricted_sampling trRosetta trRosettaConstraintGenerator trRosettaConstraintGenerator_rosettascripts trRosettaProtocolMover trRosettaProtocolMover_rosettascripts trRosettaProtocolMover_rosettascripts_diskwrite trRosettaProtocolMover_rosettascripts_diskwrite_only trRosetta_test_predict trRosetta_test_predict_ubiquitin trRosetta_test_predict_ubiquitin_cst_file_write trRosetta_test_predict_ubiquitin_cst_file_write_only trRosetta_test_predict_ubiquitin_init_by_bins unfolded_state_energy_calc validate_database vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file zinc_heterodimer zinc_homodimer_design zinc_homodimer_setup

JSON output

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"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" }, 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"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:62063/cmaes_minimizer/log and /home/benchmark/working_dir/master:62064/cmaes_minimizer/log differ\r\nFiles /home/benchmark/working_dir/master:62063/cmaes_minimizer/min_pose.pdb and /home/benchmark/working_dir/master:62064/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:62063/cmaes_minimizer/log /home/benchmark/working_dir/master:62064/cmaes_minimizer/log\r\n95c95\r\n< core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 9.92e-04 < stopTolFun=1.00e-03\r\n---\r\n> core.optimization.CMAES_Minimizer: Stop: TolFun: function value differences 9.81e-04 < stopTolFun=1.00e-03\r\ndiff -r '--exclude=command.sh' '--exclude=command.mpi.sh' '--exclude=observers' '--exclude=*.ignore' /home/benchmark/working_dir/master:62063/cmaes_minimizer/min_pose.pdb /home/benchmark/working_dir/master:62064/cmaes_minimizer/min_pose.pdb\r\n24c24\r\n< ATOM 15 C ALA 3 37.372 13.738 -6.461 1.00 0.00 C \r\n---\r\n> ATOM 15 C ALA 3 37.372 13.739 -6.461 1.00 0.00 C \r\n28c28\r\n< ATOM 19 HA ALA 3 36.927 11.666 -6.372 1.00 0.00 H \r\n---\r\n> ATOM 19 HA ALA 3 36.927 11.667 -6.372 1.00 0.00 H \r\n30c30\r\n< ATOM 21 2HB ALA 3 37.456 12.899 -9.179 1.00 0.00 H \r\n---\r\n> ATOM 21 2HB ALA 3 37.456 12.899 -9.180 1.00 0.00 H \r\n32,112c32,112\r\n< ATOM 23 N ALA 4 36.830 15.045 -6.861 1.00 0.00 N \r\n< ATOM 24 CA ALA 4 37.613 16.048 -6.147 1.00 0.00 C \r\n< ATOM 25 C ALA 4 37.376 15.959 -4.657 1.00 0.00 C \r\n< ATOM 26 O ALA 4 38.267 16.204 -3.835 1.00 0.00 O \r\n< ATOM 27 CB ALA 4 37.249 17.425 -6.726 1.00 0.00 C \r\n< ATOM 28 H ALA 4 36.016 15.226 -7.547 1.00 0.00 H \r\n< ATOM 29 HA ALA 4 38.688 15.849 -6.320 1.00 0.00 H \r\n< ATOM 30 1HB ALA 4 37.465 17.484 -7.810 1.00 0.00 H \r\n< ATOM 31 2HB ALA 4 36.175 17.661 -6.599 1.00 0.00 H \r\n< ATOM 32 3HB ALA 4 37.820 18.240 -6.245 1.00 0.00 H \r\n< ATOM 33 N ALA 5 36.045 15.570 -4.171 1.00 0.00 N \r\n< ATOM 34 CA ALA 5 36.090 15.689 -2.716 1.00 0.00 C \r\n< ATOM 35 C ALA 5 36.959 14.612 -2.113 1.00 0.00 C \r\n< ATOM 36 O ALA 5 37.632 14.806 -1.093 1.00 0.00 O \r\n< ATOM 37 CB ALA 5 34.642 15.646 -2.200 1.00 0.00 C \r\n< ATOM 38 H ALA 5 35.202 15.258 -4.770 1.00 0.00 H \r\n< ATOM 39 HA ALA 5 36.545 16.663 -2.455 1.00 0.00 H \r\n< ATOM 40 1HB ALA 5 34.030 16.465 -2.623 1.00 0.00 H \r\n< ATOM 41 2HB ALA 5 34.134 14.697 -2.459 1.00 0.00 H \r\n< ATOM 42 3HB ALA 5 34.594 15.751 -1.101 1.00 0.00 H \r\n< ATOM 43 N ALA 6 37.006 13.292 -2.756 1.00 0.00 N \r\n< ATOM 44 CA ALA 6 37.850 12.453 -1.910 1.00 0.00 C \r\n< ATOM 45 C ALA 6 39.289 12.909 -1.959 1.00 0.00 C \r\n< ATOM 46 O ALA 6 40.030 12.852 -0.971 1.00 0.00 O \r\n< ATOM 47 CB ALA 6 37.671 10.996 -2.369 1.00 0.00 C \r\n< ATOM 48 H ALA 6 36.516 13.000 -3.673 1.00 0.00 H \r\n< ATOM 49 HA ALA 6 37.510 12.554 -0.862 1.00 0.00 H \r\n< ATOM 50 1HB ALA 6 36.617 10.667 -2.290 1.00 0.00 H \r\n< ATOM 51 2HB ALA 6 37.976 10.850 -3.423 1.00 0.00 H \r\n< ATOM 52 3HB ALA 6 38.268 10.296 -1.758 1.00 0.00 H \r\n< ATOM 53 N ALA 7 39.824 13.439 -3.222 1.00 0.00 N \r\n< ATOM 54 CA ALA 7 41.243 13.694 -2.989 1.00 0.00 C \r\n< ATOM 55 C ALA 7 41.434 14.819 -1.998 1.00 0.00 C \r\n< ATOM 56 O ALA 7 42.368 14.828 -1.188 1.00 0.00 O \r\n< ATOM 57 CB ALA 7 41.896 13.983 -4.351 1.00 0.00 C \r\n< ATOM 58 H ALA 7 39.279 13.604 -4.138 1.00 0.00 H \r\n< ATOM 59 HA ALA 7 41.699 12.788 -2.547 1.00 0.00 H \r\n< ATOM 60 1HB ALA 7 41.779 13.134 -5.051 1.00 0.00 H \r\n< ATOM 61 2HB ALA 7 41.455 14.871 -4.844 1.00 0.00 H \r\n< ATOM 62 3HB ALA 7 42.980 14.170 -4.257 1.00 0.00 H \r\n< ATOM 63 N ALA 8 40.479 15.936 -1.997 1.00 0.00 N \r\n< ATOM 64 CA ALA 8 40.972 16.895 -1.013 1.00 0.00 C \r\n< ATOM 65 C ALA 8 40.900 16.323 0.383 1.00 0.00 C \r\n< ATOM 66 O ALA 8 41.762 16.563 1.236 1.00 0.00 O \r\n< ATOM 67 CB ALA 8 40.153 18.187 -1.170 1.00 0.00 C \r\n< ATOM 68 H ALA 8 39.590 16.030 -2.604 1.00 0.00 H \r\n< ATOM 69 HA ALA 8 42.037 17.105 -1.226 1.00 0.00 H \r\n< ATOM 70 1HB ALA 8 40.248 18.613 -2.187 1.00 0.00 H \r\n< ATOM 71 2HB ALA 8 39.073 18.022 -0.989 1.00 0.00 H \r\n< ATOM 72 3HB ALA 8 40.484 18.972 -0.465 1.00 0.00 H \r\n< ATOM 73 N ALA 9 39.769 15.452 0.737 1.00 0.00 N \r\n< ATOM 74 CA ALA 9 39.883 15.198 2.171 1.00 0.00 C \r\n< ATOM 75 C ALA 9 40.927 14.144 2.452 1.00 0.00 C \r\n< ATOM 76 O ALA 9 41.342 13.920 3.596 1.00 0.00 O \r\n< ATOM 77 CB ALA 9 38.487 14.808 2.687 1.00 0.00 C \r\n< ATOM 78 H ALA 9 39.007 15.075 0.071 1.00 0.00 H \r\n< ATOM 79 HA ALA 9 40.213 16.129 2.670 1.00 0.00 H \r\n< ATOM 80 1HB ALA 9 37.744 15.608 2.507 1.00 0.00 H \r\n< ATOM 81 2HB ALA 9 38.103 13.893 2.198 1.00 0.00 H \r\n< ATOM 82 3HB ALA 9 38.490 14.618 3.776 1.00 0.00 H \r\n< ATOM 83 N ALA 10 41.466 13.360 1.332 1.00 0.00 N \r\n< ATOM 84 CA ALA 10 42.428 12.426 1.911 1.00 0.00 C \r\n< ATOM 85 C ALA 10 43.777 13.081 2.087 1.00 0.00 C \r\n< ATOM 86 O ALA 10 44.747 12.471 2.555 1.00 0.00 O \r\n< ATOM 87 CB ALA 10 42.481 11.186 1.003 1.00 0.00 C \r\n< ATOM 88 H ALA 10 41.204 13.455 0.288 1.00 0.00 H \r\n< ATOM 89 HA ALA 10 42.072 12.131 2.917 1.00 0.00 H \r\n< ATOM 90 1HB ALA 10 41.491 10.699 0.915 1.00 0.00 H \r\n< ATOM 91 2HB ALA 10 42.809 11.436 -0.025 1.00 0.00 H \r\n< ATOM 92 3HB ALA 10 43.178 10.422 1.389 1.00 0.00 H \r\n< ATOM 93 N ALA 11 43.945 14.486 1.691 1.00 0.00 N \r\n< ATOM 94 CA ALA 11 45.364 14.789 1.844 1.00 0.00 C \r\n< ATOM 95 C ALA 11 45.665 15.277 3.241 1.00 0.00 C \r\n< ATOM 96 O ALA 11 44.786 15.376 4.105 1.00 0.00 O \r\n< ATOM 97 OXT ALA 11 46.786 15.583 3.541 1.00 0.00 O \r\n< ATOM 98 CB ALA 11 45.742 15.814 0.760 1.00 0.00 C \r\n< ATOM 99 H ALA 11 43.170 15.161 1.354 1.00 0.00 H \r\n< ATOM 100 HA ALA 11 45.943 13.859 1.689 1.00 0.00 H \r\n< ATOM 101 1HB ALA 11 45.550 15.424 -0.258 1.00 0.00 H \r\n< ATOM 102 2HB ALA 11 45.169 16.756 0.859 1.00 0.00 H \r\n< ATOM 103 3HB ALA 11 46.814 16.079 0.801 1.00 0.00 H \r\n---\r\n> ATOM 23 N ALA 4 36.831 15.045 -6.862 1.00 0.00 N \r\n> ATOM 24 CA ALA 4 37.614 16.049 -6.148 1.00 0.00 C \r\n> ATOM 25 C ALA 4 37.376 15.960 -4.659 1.00 0.00 C \r\n> ATOM 26 O ALA 4 38.267 16.203 -3.836 1.00 0.00 O \r\n> ATOM 27 CB ALA 4 37.249 17.426 -6.728 1.00 0.00 C \r\n> ATOM 28 H ALA 4 36.018 15.226 -7.549 1.00 0.00 H \r\n> ATOM 29 HA ALA 4 38.688 15.849 -6.321 1.00 0.00 H \r\n> ATOM 30 1HB ALA 4 37.465 17.485 -7.812 1.00 0.00 H \r\n> ATOM 31 2HB ALA 4 36.175 17.661 -6.600 1.00 0.00 H \r\n> ATOM 32 3HB ALA 4 37.820 18.241 -6.246 1.00 0.00 H \r\n> ATOM 33 N ALA 5 36.044 15.573 -4.172 1.00 0.00 N \r\n> ATOM 34 CA ALA 5 36.089 15.691 -2.718 1.00 0.00 C \r\n> ATOM 35 C ALA 5 36.961 14.614 -2.116 1.00 0.00 C \r\n> ATOM 36 O ALA 5 37.635 14.810 -1.096 1.00 0.00 O \r\n> ATOM 37 CB ALA 5 34.641 15.645 -2.201 1.00 0.00 C \r\n> ATOM 38 H ALA 5 35.201 15.263 -4.771 1.00 0.00 H \r\n> ATOM 39 HA ALA 5 36.543 16.665 -2.456 1.00 0.00 H \r\n> ATOM 40 1HB ALA 5 34.028 16.463 -2.623 1.00 0.00 H \r\n> ATOM 41 2HB ALA 5 34.136 14.695 -2.461 1.00 0.00 H \r\n> ATOM 42 3HB ALA 5 34.594 15.749 -1.102 1.00 0.00 H \r\n> ATOM 43 N ALA 6 37.009 13.294 -2.759 1.00 0.00 N \r\n> ATOM 44 CA ALA 6 37.853 12.456 -1.913 1.00 0.00 C \r\n> ATOM 45 C ALA 6 39.291 12.914 -1.960 1.00 0.00 C \r\n> ATOM 46 O ALA 6 40.031 12.858 -0.972 1.00 0.00 O \r\n> ATOM 47 CB ALA 6 37.676 10.999 -2.373 1.00 0.00 C \r\n> ATOM 48 H ALA 6 36.518 13.002 -3.676 1.00 0.00 H \r\n> ATOM 49 HA ALA 6 37.512 12.556 -0.865 1.00 0.00 H \r\n> ATOM 50 1HB ALA 6 36.623 10.668 -2.295 1.00 0.00 H \r\n> ATOM 51 2HB ALA 6 37.982 10.855 -3.427 1.00 0.00 H \r\n> ATOM 52 3HB ALA 6 38.274 10.299 -1.762 1.00 0.00 H \r\n> ATOM 53 N ALA 7 39.827 13.444 -3.223 1.00 0.00 N \r\n> ATOM 54 CA ALA 7 41.246 13.701 -2.989 1.00 0.00 C \r\n> ATOM 55 C ALA 7 41.434 14.826 -1.998 1.00 0.00 C \r\n> ATOM 56 O ALA 7 42.368 14.836 -1.187 1.00 0.00 O \r\n> ATOM 57 CB ALA 7 41.898 13.992 -4.351 1.00 0.00 C \r\n> ATOM 58 H ALA 7 39.282 13.610 -4.140 1.00 0.00 H \r\n> ATOM 59 HA ALA 7 41.702 12.796 -2.547 1.00 0.00 H \r\n> ATOM 60 1HB ALA 7 41.783 13.142 -5.051 1.00 0.00 H \r\n> ATOM 61 2HB ALA 7 41.457 14.879 -4.844 1.00 0.00 H \r\n> ATOM 62 3HB ALA 7 42.983 14.179 -4.256 1.00 0.00 H \r\n> ATOM 63 N ALA 8 40.478 15.942 -1.997 1.00 0.00 N \r\n> ATOM 64 CA ALA 8 40.970 16.901 -1.012 1.00 0.00 C \r\n> ATOM 65 C ALA 8 40.898 16.328 0.383 1.00 0.00 C \r\n> ATOM 66 O ALA 8 41.759 16.570 1.237 1.00 0.00 O \r\n> ATOM 67 CB ALA 8 40.150 18.193 -1.169 1.00 0.00 C \r\n> ATOM 68 H ALA 8 39.590 16.035 -2.604 1.00 0.00 H \r\n> ATOM 69 HA ALA 8 42.035 17.113 -1.225 1.00 0.00 H \r\n> ATOM 70 1HB ALA 8 40.244 18.619 -2.186 1.00 0.00 H \r\n> ATOM 71 2HB ALA 8 39.070 18.026 -0.989 1.00 0.00 H \r\n> ATOM 72 3HB ALA 8 40.479 18.978 -0.464 1.00 0.00 H \r\n> ATOM 73 N ALA 9 39.768 15.456 0.737 1.00 0.00 N \r\n> ATOM 74 CA ALA 9 39.881 15.202 2.171 1.00 0.00 C \r\n> ATOM 75 C ALA 9 40.926 14.149 2.452 1.00 0.00 C \r\n> ATOM 76 O ALA 9 41.341 13.925 3.595 1.00 0.00 O \r\n> ATOM 77 CB ALA 9 38.486 14.811 2.686 1.00 0.00 C \r\n> ATOM 78 H ALA 9 39.007 15.078 0.070 1.00 0.00 H \r\n> ATOM 79 HA ALA 9 40.211 16.133 2.670 1.00 0.00 H \r\n> ATOM 80 1HB ALA 9 37.742 15.610 2.505 1.00 0.00 H \r\n> ATOM 81 2HB ALA 9 38.103 13.895 2.197 1.00 0.00 H \r\n> ATOM 82 3HB ALA 9 38.488 14.619 3.775 1.00 0.00 H \r\n> ATOM 83 N ALA 10 41.467 13.365 1.331 1.00 0.00 N \r\n> ATOM 84 CA ALA 10 42.429 12.432 1.911 1.00 0.00 C \r\n> ATOM 85 C ALA 10 43.777 13.088 2.088 1.00 0.00 C \r\n> ATOM 86 O ALA 10 44.748 12.479 2.556 1.00 0.00 O \r\n> ATOM 87 CB ALA 10 42.484 11.193 1.002 1.00 0.00 C \r\n> ATOM 88 H ALA 10 41.205 13.460 0.288 1.00 0.00 H \r\n> ATOM 89 HA ALA 10 42.074 12.137 2.916 1.00 0.00 H \r\n> ATOM 90 1HB ALA 10 41.494 10.704 0.915 1.00 0.00 H \r\n> ATOM 91 2HB ALA 10 42.811 11.443 -0.025 1.00 0.00 H \r\n> ATOM 92 3HB ALA 10 43.181 10.429 1.389 1.00 0.00 H \r\n> ATOM 93 N ALA 11 43.944 14.494 1.692 1.00 0.00 N \r\n> ATOM 94 CA ALA 11 45.363 14.798 1.844 1.00 0.00 C \r\n> ATOM 95 C ALA 11 45.664 15.289 3.240 1.00 0.00 C \r\n> ATOM 96 O ALA 11 44.784 15.390 4.104 1.00 0.00 O \r\n> ATOM 97 OXT ALA 11 46.784 15.597 3.540 1.00 0.00 O \r\n> ATOM 98 CB ALA 11 45.741 15.820 0.758 1.00 0.00 C \r\n> ATOM 99 H ALA 11 43.169 15.168 1.355 1.00 0.00 H \r\n> ATOM 100 HA ALA 11 45.942 13.868 1.692 1.00 0.00 H \r\n> ATOM 101 1HB ALA 11 45.549 15.428 -0.259 1.00 0.00 H \r\n> ATOM 102 2HB ALA 11 45.167 16.762 0.854 1.00 0.00 H \r\n> ATOM 103 3HB ALA 11 46.813 16.086 0.799 1.00 0.00 H \r\n118,128c118,128\r\n< pose -24.6959 4.77355 24.4152 0.01055 0 -2.65853 -10.1663 0 -5.28054 0 0 0 0 0.08274 0 -0.76918 0 13.2468 -3.47549 -4.51707\r\n< ALA:NtermProteinFull_1 -2.02807 0.33698 1.43722 0.00167 0 -0.18192 -0.92058 0 0 0 0 0 0 -0.00097 0 0 0 1.32468 0 -0.03099\r\n< ALA_2 -1.9405 0.46005 1.98048 0.00095 0 -0.20456 -1.15594 0 0 0 0 0 0 -0.03216 0 -0.1912 0 1.32468 -0.29008 -0.04827\r\n< ALA_3 -2.41062 0.4939 2.29827 0.00095 0 -0.28341 -0.72533 0 0 0 0 0 0 0.0055 0 -0.16426 0 1.32468 -0.53428 0.00541\r\n< ALA_4 -3.24977 0.48734 2.6492 0.00094 0 -0.34147 -0.78104 0 0 0 0 0 0 -0.03686 0 -0.04485 0 1.32468 -0.38353 -0.37536\r\n< ALA_5 -3.34246 0.46868 3.386 0.00095 0 -0.32642 -1.81802 0 0 0 0 0 0 -0.02058 0 -0.09566 0 1.32468 -0.30029 -0.72313\r\n< ALA_6 -3.15865 0.47636 3.18667 0.00095 0 -0.40735 -1.38614 0 0 0 0 0 0 -0.02795 0 -0.14052 0 1.32468 -0.36761 -0.49956\r\n< ALA_7 -2.81652 0.50565 2.86862 0.00095 0 -0.32667 -1.40476 0 0 0 0 0 0 0.10612 0 -0.15655 0 1.32468 -0.40341 -0.30187\r\n< ALA_8 -2.26018 0.56107 2.41281 0.00097 0 -0.22285 -0.73801 0 0 0 0 0 0 -0.02743 0 -0.04475 0 1.32468 -0.44855 0.55776\r\n< ALA_9 -2.01286 0.59917 2.15779 0.00108 0 -0.17549 -1.12933 0 0 0 0 0 0 0.11708 0 0.0686 0 1.32468 -0.49977 0.45094\r\n< ALA:CtermProteinFull_10 -1.47629 0.38434 2.03816 0.00114 0 -0.18841 -0.1071 0 0 0 0 0 0 0 0 0 0 1.32468 -0.24798 1.72854\r\n---\r\n> pose -24.7036 4.78203 24.4238 0.01055 0 -2.65507 -10.1676 0 -5.27835 0 0 0 0 0.0854 0 -0.77773 0 13.2468 -3.48319 -4.51695\r\n> ALA:NtermProteinFull_1 -2.028 0.33642 1.43577 0.00167 0 -0.18073 -0.9192 0 0 0 0 0 0 -0.00099 0 0 0 1.32468 0 -0.03039\r\n> ALA_2 -1.94167 0.45977 1.98167 0.00095 0 -0.20402 -1.15362 0 0 0 0 0 0 -0.03251 0 -0.19094 0 1.32468 -0.28911 -0.04481\r\n> ALA_3 -2.41256 0.49578 2.3022 0.00095 0 -0.28265 -0.72527 0 0 0 0 0 0 0.00437 0 -0.16638 0 1.32468 -0.53298 0.00815\r\n> ALA_4 -3.25138 0.4896 2.65106 0.00094 0 -0.34123 -0.78168 0 0 0 0 0 0 -0.03579 0 -0.04963 0 1.32468 -0.38689 -0.38032\r\n> ALA_5 -3.34583 0.47043 3.38914 0.00095 0 -0.32523 -1.82035 0 0 0 0 0 0 -0.01992 0 -0.0975 0 1.32468 -0.30513 -0.72877\r\n> ALA_6 -3.15965 0.47676 3.18843 0.00095 0 -0.40682 -1.38534 0 0 0 0 0 0 -0.02793 0 -0.14041 0 1.32468 -0.36884 -0.49816\r\n> ALA_7 -2.81612 0.50547 2.8692 0.00095 0 -0.32694 -1.40447 0 0 0 0 0 0 0.10599 0 -0.15666 0 1.32468 -0.40369 -0.30158\r\n> ALA_8 -2.25989 0.56111 2.413 0.00097 0 -0.22257 -0.7396 0 0 0 0 0 0 -0.02743 0 -0.04463 0 1.32468 -0.44858 0.55705\r\n> ALA_9 -2.01214 0.60053 2.15626 0.00108 0 -0.17558 -1.13065 0 0 0 0 0 0 0.11962 0 0.06843 0 1.32468 -0.4998 0.45243\r\n> ALA:CtermProteinFull_10 -1.47634 0.38616 2.0371 0.00114 0 -0.18929 -0.10746 0 0 0 0 0 0 0 0 0 0 1.32468 -0.24818 1.72781\r\n134c134\r\n< TOTAL_SCORE: -4.51707\r\n---\r\n> TOTAL_SCORE: -4.51695\r\n136,146c136,146\r\n< TOTAL_WTD: fa_atr: -24.696 fa_rep: 4.774 fa_sol: 24.415 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.659 fa_elec: -10.166 pro_close: 0.000 hbond_sr_bb: -5.281 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.083 fa_dun: 0.000 p_aa_pp: -0.769 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.475\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: -0.921 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: -1.940 fa_rep: 0.460 fa_sol: 1.980 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: -2.411 fa_rep: 0.494 fa_sol: 2.298 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.283 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: -0.164 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.534\r\n< RSD_WTD: 4 fa_atr: -3.250 fa_rep: 0.487 fa_sol: 2.649 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: -0.037 fa_dun: 0.000 p_aa_pp: -0.045 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.384\r\n< RSD_WTD: 5 fa_atr: -3.342 fa_rep: 0.469 fa_sol: 3.386 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.326 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: -0.096 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.300\r\n< RSD_WTD: 6 fa_atr: -3.159 fa_rep: 0.476 fa_sol: 3.187 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: -0.368\r\n< RSD_WTD: 7 fa_atr: -2.817 fa_rep: 0.506 fa_sol: 2.869 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.327 fa_elec: -1.405 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: 0.106 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: -0.449\r\n< RSD_WTD: 9 fa_atr: -2.013 fa_rep: 0.599 fa_sol: 2.158 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.175 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: 0.117 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: 0.384 fa_sol: 2.038 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.188 fa_elec: -0.107 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: -24.704 fa_rep: 4.782 fa_sol: 24.424 fa_intra_rep: 0.011 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -2.655 fa_elec: -10.168 pro_close: 0.000 hbond_sr_bb: -5.278 hbond_lr_bb: 0.000 hbond_bb_sc: 0.000 hbond_sc: 0.000 dslf_fa13: 0.000 omega: 0.085 fa_dun: 0.000 p_aa_pp: -0.778 yhh_planarity: 0.000 ref: 13.247 rama_prepro: -3.483\r\n> RSD_WTD: 1 fa_atr: -2.028 fa_rep: 0.336 fa_sol: 1.436 fa_intra_rep: 0.002 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.181 fa_elec: -0.919 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: -0.033 fa_dun: 0.000 p_aa_pp: -0.191 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.289\r\n> RSD_WTD: 3 fa_atr: -2.413 fa_rep: 0.496 fa_sol: 2.302 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.283 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: 0.004 fa_dun: 0.000 p_aa_pp: -0.166 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.533\r\n> RSD_WTD: 4 fa_atr: -3.251 fa_rep: 0.490 fa_sol: 2.651 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.341 fa_elec: -0.782 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: -0.050 yhh_planarity: 0.000 ref: 1.325 rama_prepro: -0.387\r\n> RSD_WTD: 5 fa_atr: -3.346 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: -1.820 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: -0.305\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: -1.385 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: -0.369\r\n> RSD_WTD: 7 fa_atr: -2.816 fa_rep: 0.505 fa_sol: 2.869 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: 0.106 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: 0.561 fa_sol: 2.413 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.223 fa_elec: -0.740 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: -0.449\r\n> RSD_WTD: 9 fa_atr: -2.012 fa_rep: 0.601 fa_sol: 2.156 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.176 fa_elec: -1.131 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: 0.386 fa_sol: 2.037 fa_intra_rep: 0.001 fa_intra_sol_xover4: 0.000 lk_ball_wtd: -0.189 fa_elec: -0.107 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", "state": "failed" }, "coarse_rna_scoring": { "log": "", "state": "passed" }, "code_template_tests_app": { "log": "", "state": "passed" }, "code_template_tests_citations": { "log": "", "state": "passed" }, "code_template_tests_src": { "log": "", "state": "passed" }, "code_template_tests_unit": { "log": "", "state": "passed" }, "coenzymes": { "log": "", "state": "passed" }, "combine_silent": { "log": "", "state": "passed" }, "composition_energy_layers": { "log": "", "state": "passed" }, "constel": { "log": "", "state": "passed" }, "constraints_metric": { "log": "", "state": "passed" }, "contactMap": { "log": "", "state": "passed" }, "control_flow_rs": { "log": "", "state": "passed" }, "copy_rotamer_mover": { "log": "", "state": "passed" }, "count_cycpep_sequences": { "log": "", "state": "passed" }, "coupled_moves": { "log": "", "state": "passed" }, "crankshaft_flip": { "log": "", "state": "passed" }, "create_clash-based_repack_shell": { "log": "", "state": "passed" }, "create_sequence_motif": { "log": "", "state": "passed" }, "crossaln": { "log": "", "state": "passed" }, "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": { "log": "", "state": "passed" }, "crosslinkermover_square_planar": { "log": "", "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": { "log": "", "state": "passed" }, "crosslinkermover_tetrahedral_metal_d2_symmetry": { "log": "", "state": "passed" }, "crosslinkermover_thioether": { "log": "", "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": { "log": "", "state": "passed" }, "cstfile_to_theozyme_pdb": { "log": "", "state": "passed" }, "custom_basetype_packer_palette": { "log": "", "state": "passed" }, "cyclization": { "log": "", "state": "passed" }, "cycpep_design_pipeline": { "log": "", "state": "passed" }, "cycpep_rdkit_metric": { "log": "", "state": "passed" }, 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