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branch: rosetta:commits 「№20359」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№36」
Merge: 「dffc8b947」← 「0592cc4bc」 code diff
Scheduled at: 2024-03-25 12:27:51.567669

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №36 RosettaCommons/rosetta/main ← roccomoretti/rosetta/scons_version_ranges Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←0592cc4bcfdb6a77cedfcb4015ab9293cffb189e Add ability to specify compiler version ranges in scons settings. ---------------- Merge commit message: More debugging GCC12 on the server.

Summary
gcc-12.gcc.build.release

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Test: gcc-12.gcc.build.release

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branch: rosetta:commits 「№20358」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№36」
Merge: 「dffc8b947」← 「b28a5e3c6」 code diff
Scheduled at: 2024-03-25 12:00:17.852519

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №36 RosettaCommons/rosetta/main ← roccomoretti/rosetta/scons_version_ranges Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←b28a5e3c6e39f64419ed92c4daf79a1fbcdae6ed Add ability to specify compiler version ranges in scons settings. ---------------- Merge commit message: Tweak to GCC 12 settings.

Summary
gcc-12.gcc.build.release

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Test: gcc-12.gcc.build.release

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branch: rosetta:commits 「№20357」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№36」
Merge: 「dffc8b947」← 「15198becc」 code diff
Scheduled at: 2024-03-25 11:13:26.973142

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №36 RosettaCommons/rosetta/main ← roccomoretti/rosetta/scons_version_ranges Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←15198beccab0728f1d59f021ea6ac47b513b41dc Add ability to specify compiler version ranges in scons settings. ---------------- Merge commit message: Option not known for GCC 12.0

Summary
gcc-12.gcc.build.release

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Test: gcc-12.gcc.build.release

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branch: rosetta:commits 「№20356」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№40」
Merge: 「3e4fc2129」← 「7b371f3b8」 code diff
Scheduled at: 2024-03-22 15:40:33.534433

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №40 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/roccomoretti-patch-1 Merge: 3e4fc2129edccfa8b8b6e78b27ceb21fe4860b18←7b371f3b8ac5fca06b1dc18d6a9e4a8385c47063 Fix uninitialized variable in InterfaceScoreCalculator ---------------- Merge commit message: Fix uninitialized variable in InterfaceScoreCalculator The native_ensemble_best_ variable was uninitialized, which could potentially cause issues. Make sure we initialize it.

Summary
integration.mpi 「1」

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
replica_docking

branch: rosetta:commits 「№20355」
Commited by: Steffen Möller
GitHub Pull Request link: 「№38」
Merge: 「dffc8b947」← 「a536b2db9」 code diff
Scheduled at: 2024-03-22 14:12:37.930366

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №38 RosettaCommons/rosetta/main ← smoe/rosetta/Cifparse_build Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←a536b2db9d3042aac6bdbd62eed6c7a9de95c2aa cifparse: Debian missing unistd include ---------------- Merge commit message: cifparse: Debian missing unistd include

Summary

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branch: rosetta:commits 「№20354」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№36」
Merge: 「dffc8b947」← 「f14fd90b3」 code diff
Scheduled at: 2024-03-22 11:18:45.404257

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №36 RosettaCommons/rosetta/main ← roccomoretti/rosetta/scons_version_ranges Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←f14fd90b3c9a136f472083d8d97e7b5af0d3b3d4 Add ability to specify compiler version ranges in scons settings. ---------------- Merge commit message: Also include GCC 12 builds for errors.

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Test: gcc-12.gcc.build.debug

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Test: gcc-12.gcc.build.release

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Test: gcc-12.gcc.unit

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branch: rosetta:commits 「№20353」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№36」
Merge: 「dffc8b947」← 「41d14c649」 code diff
Scheduled at: 2024-03-21 19:14:50.146752

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №36 RosettaCommons/rosetta/main ← roccomoretti/rosetta/scons_version_ranges Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←41d14c6495cb34ac78a7f0d3cec86adbb6f926aa Add ability to specify compiler version ranges in scons settings. ---------------- Merge commit message: Fix comma operator issue.

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Test: gcc-12.gcc.build.release

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Test: linux.clang.bcl.static.build.release

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Test: linux.gcc.bcl.static.build.release

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Test: gcc-11.gcc.unit

Failed sub-tests (click for more details):
protocols:MoverFactoryTests:test_MoverFactory_all_Mover_all_attributes_have_descriptions protocols:MoverFactoryTests:test_MoverFactory_all_Mover_complexTypes_have_descriptions protocols:MoverFactoryTests:test_all_movers_define_valid_xsds

branch: rosetta:commits 「№20352」
Commited by: Rocco Moretti
GitHub Pull Request link: 「№36」
Merge: 「dffc8b947」← 「66f43b899」 code diff
Scheduled at: 2024-03-21 18:46:42.991000

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №36 RosettaCommons/rosetta/main ← roccomoretti/rosetta/scons_version_ranges Merge: dffc8b947ea41f1346fb98df62436525a33bcd8e←66f43b8995e4454bba09e9984ab4804431e48e70 Add ability to specify compiler version ranges in scons settings. ---------------- Merge commit message: Fix typo

Summary
mac.clang.build.debug

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Test: mac.clang.build.debug

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branch: rosetta:commits 「№20351」
Commited by: tydingcw
GitHub Pull Request link: 「№24」
Merge: 「717d2e823」← 「41c5e84b1」 code diff
Scheduled at: 2024-03-19 14:39:00.433497

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 717d2e8232174371f0c672564f23a097062db88a←41c5e84b14cfc13ccdb2c08188f4a7a033e4bf2c Crosslinker Mover lanthionine ---------------- Merge commit message: beautify

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
database_md5 replica_docking simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_lanthionine simple_cycpep_predict_thioether_lariat

Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
ambiguous_nmr_distance_constraint autoNOE_rosetta crosslinkermover_lanthionine crosslinkermover_methyllanthionine cyclization database_md5 ddG_of_mutation dehydro_aa_patch design_glycans fiber_diffraction_fad fold_and_dock noe_assignment number_of_residuetypes output_schema simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_lanthionine simple_cycpep_predict_thioether_cis_sampling simple_cycpep_predict_thioether_lariat small_molecule_lattice_dock

Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
database_md5

Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
database_md5

Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
ambiguous_nmr_distance_constraint autoNOE_rosetta crosslinkermover_lanthionine crosslinkermover_methyllanthionine cyclization database_md5 ddG_of_mutation dehydro_aa_patch design_glycans fiber_diffraction_fad fold_and_dock noe_assignment number_of_residuetypes output_schema simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_lanthionine simple_cycpep_predict_thioether_cis_sampling simple_cycpep_predict_thioether_lariat

Test: linux.clang.profile

Failed sub-tests (click for more details):
build_rotamers

branch: rosetta:commits 「№20350」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」← 「051d768f5」 code diff
Scheduled at: 2024-03-18 20:21:20.975782

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←051d768f5a5069fe0d29dedc660be6ad8b0702be add support for PyRosetta ML builds ---------------- Merge commit message: remove preamble from PyRosetta license

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
helical_bundle_predict helical_bundle_predict_psipred helical_bundle_predict_psipred_with_helix_globals helical_bundle_predict_sequence helical_bundle_predict_skipping_residues recon_design_mpi replica_docking

Test: torch.clang.pytorch.python39.integration.pytorch

Failed sub-tests (click for more details):
proteinMPNN_model_perplexity

Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences AnchorFinder AnchoredDesign AnchoredPDBCreator BFactorSelector BuildPeptide CCS_PARCS ContactMolecularSurface DARC_electrostatics DARC_make_ray_files DARC_sampling_on_the_fly DARC_shapeonly DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FavorSequenceProfileMover FilterReportAsPoseExtraScoresMover FloppyTail HDXEnergy InterfaceAnalyzer InterfaceAnalyzer_allscores InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_metrics InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile InterfaceAnalyzer_tracer InterfaceDdG KIC_refine KIC_vicinity KIC_with_fragments LoopAnalyzer LoopLengthChange ModifyVariantTypeMover PDB_diagnostic ProQ RescorePDDF ResidueDisorder RunSimpleMetric_b_factor_test SID_ERMS_prediction SID_rescore SSElementSelector SnugDock ThreadingInputter UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm abinitio add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data angle_recovery_stats antibody_H3 antibody_H3_camelid antibody_designer antibody_designer_camelid antibody_designer_xml antibody_graft antibody_numbering_converter assemble_domains_jd2 auto-drrafter_setup_run_R1 auto-drrafter_setup_run_R2 auto-drrafter_setup_run_R3 autosetup_metals_centroid backrub backrub_interface_ddG backrub_pilot balancedKIC batch_relax beta_strand_homodimer binselector binselector_probins broker broker_membrane burial_measure_centroid buried_unsat_kinemage buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm c-term_conjugation calculate_sasa cart_min_glycans cartesianddg ccd_ends_graft_mover_rs centroid_disulfide_scores centroid_from_fullatom cl_complex_rescore classic_relax_1a19 cluster cluster_alns cluster_filter cmaes_minimizer coarse_rna_scoring combine_silent constel constraints_metric contactMap control_flow_rs 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_session_resource ddG_ensemble ddG_of_mutation ddG_scan 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 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 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 exclusively_shared_jumps extract_pdbs farfar_mrna farnesyl fast_relax favor_coupling_tensor favor_native_residue features features_database_schema features_parallel features_pdb 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 ga_ligand_dock ga_ligand_dock_amino_acid ga_ligand_dock_macrocycle gen_lig_grids generate_6Dloopclose genkic_bin_perturbing 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 glycopeptidedocking glycopeptidedocking_diglyco_long grid_scores_features hbnet_use_input_rot hbonds hbonds_sp2 hbs_design 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 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 loop_creation loop_grower_N_term_symm loop_hash loop_modeling 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 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 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_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 mpil_find_pore_ahelical mpil_find_pore_bbarrel mpil_load_implicit_lipids mr_protocols multistage_rosetta_scripts multistage_rosetta_scripts_clustering 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 phiselector phosphonate place_simultaneously 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 protocol_metric pwsho pymol_cif r_pdb2top r_rmsf ralford_dump_rotamers range_relax_w_cst rb_recces rdkit_metrics read_polymeric_components readin_dna_rna_protein real_virt_mover recces_turner recon_design relax_w_allatom_cst remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens report_hbonds_for_plugin res_lipo_ref2015_memb residue_energy_breakdown resource_database_locator restype_converter 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 rnp_ddg_calc_mut rnp_ddg_calc_wt rnp_ddg_relax_command_1 rnp_ddg_relax_command_2 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_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_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_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails 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_glycosylation simple_glycosylation_alternate_AAs simple_grafting_movers simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_b_factor simple_metrics_in_protocols simple_metrics_per_residue site_constraint small_molecule_lattice_dock startfrom_file stepwise_lores stored_residue_subset struc_set_fragment_picker super_aln supercharge 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_docking symmetry_data_resource symmetry_multicomponent target_clash tcrmodel template_features test1_benchmark test_computed_saxs_spectrum test_d_l_readin thermal_sampler threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs torsion_restricted_sampling trRosettaConstraintGenerator_rosettascripts trRosettaProtocolMover_rosettascripts trRosettaProtocolMover_rosettascripts_diskwrite trRosettaProtocolMover_rosettascripts_diskwrite_only validate_database vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file zinc_heterodimer zinc_homodimer_design zinc_homodimer_setup

Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
PTMPrediction abinitio_with_trRosetta basic_gcn_tensorflow_test esm_model_perplexity smart_annealer tensorflow_connection_test tensorflow_manager tensorflow_simple_model_load_and_evaluate trRosetta trRosettaConstraintGenerator trRosettaConstraintGenerator_rosettascripts trRosettaProtocolMover trRosettaProtocolMover_rosettascripts trRosettaProtocolMover_rosettascripts_diskwrite trRosettaProtocolMover_rosettascripts_diskwrite_only

Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
fragment_picker multithreaded_fastdesign multithreaded_fixbb multithreaded_packrotamersmover test_rosetta_thread_manager_advanced_API test_rosetta_thread_manager_basic_API

Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences AnchorFinder AnchoredDesign AnchoredPDBCreator BFactorSelector BuildPeptide CCS_PARCS ContactMolecularSurface DARC_electrostatics DARC_make_ray_files DARC_sampling_on_the_fly DARC_shapeonly DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FavorSequenceProfileMover FilterReportAsPoseExtraScoresMover FloppyTail HDXEnergy InterfaceAnalyzer InterfaceAnalyzer_allscores InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_metrics InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile InterfaceAnalyzer_tracer InterfaceDdG KIC_refine KIC_vicinity KIC_with_fragments LoopAnalyzer LoopLengthChange ModifyVariantTypeMover PDB_diagnostic ProQ RescorePDDF ResidueDisorder RunSimpleMetric_b_factor_test SID_ERMS_prediction SID_rescore SSElementSelector SnugDock ThreadingInputter UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm abinitio add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data angle_recovery_stats antibody_H3 antibody_H3_camelid antibody_designer antibody_designer_camelid antibody_designer_xml antibody_graft antibody_numbering_converter assemble_domains_jd2 auto-drrafter_setup_run_R1 auto-drrafter_setup_run_R2 auto-drrafter_setup_run_R3 autosetup_metals_centroid backrub backrub_interface_ddG backrub_pilot balancedKIC batch_relax beta_strand_homodimer binselector binselector_probins broker broker_membrane burial_measure_centroid buried_unsat_kinemage buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm c-term_conjugation calculate_sasa cart_min_glycans cartesianddg ccd_ends_graft_mover_rs centroid_disulfide_scores centroid_from_fullatom cl_complex_rescore classic_relax_1a19 cluster cluster_alns cluster_filter cmaes_minimizer coarse_rna_scoring combine_silent constel constraints_metric contactMap continuous_sewing_hasher control_flow_rs 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_session_resource ddG_ensemble ddG_of_mutation ddG_scan 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 discontinuous_sewing_hasher distances disulfidize_beta_cys 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 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 exclusively_shared_jumps extract_pdbs farfar_mrna farnesyl fast_relax favor_coupling_tensor favor_native_residue features features_database_schema features_parallel features_pdb 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 ga_ligand_dock ga_ligand_dock_amino_acid ga_ligand_dock_macrocycle gen_lig_grids generate_6Dloopclose genkic_bin_perturbing 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 glycopeptidedocking glycopeptidedocking_diglyco_long grid_scores_features hbnet_use_input_rot hbonds hbonds_sp2 hbs_design 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 interaction_graph_summary_metric interface_energy inv_kin_lig_loop_design inverse_rotamer_remodel 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 loop_creation loop_grower_N_term_symm loop_hash loop_modeling 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 membrane_relax membrane_relax_hbond metal_setup metalloprotein_abrelax 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 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_ref2015_memb mp_range_relax mp_relax mp_relax_w_ligand 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 mpil_find_pore_ahelical mpil_find_pore_bbarrel mpil_load_implicit_lipids mr_protocols multistage_rosetta_scripts multistage_rosetta_scripts_clustering 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 pepspec_anchor_dock peptiderive per_residue_energies per_residue_sc_sasa per_residue_solvent_exposure pertmin phiselector phosphonate place_simultaneously 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 protocol_metric pwsho pymol_cif r_pdb2top r_rmsf ralford_dump_rotamers range_relax_w_cst rb_recces rdkit_metrics read_polymeric_components readin_dna_rna_protein real_virt_mover recces_turner recon_design relax_w_allatom_cst remodel remodel_disulfides remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens report_hbonds_for_plugin res_lipo_ref2015_memb residue_energy_breakdown resource_database_locator restype_converter 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 rnp_ddg_calc_mut rnp_ddg_calc_wt rnp_ddg_relax_command_1 rnp_ddg_relax_command_2 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_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_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_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails 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_glycosylation simple_glycosylation_alternate_AAs simple_grafting_movers simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_b_factor simple_metrics_in_protocols simple_metrics_per_residue site_constraint small_molecule_lattice_dock startfrom_file stepwise_lores stored_residue_subset struc_set_fragment_picker super_aln supercharge 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_docking symmetry_data_resource symmetry_multicomponent target_clash tcrmodel template_features test1_benchmark test_computed_saxs_spectrum test_d_l_readin thermal_sampler threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs torsion_restricted_sampling trRosettaConstraintGenerator_rosettascripts trRosettaProtocolMover_rosettascripts trRosettaProtocolMover_rosettascripts_diskwrite trRosettaProtocolMover_rosettascripts_diskwrite_only validate_database vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file zinc_heterodimer zinc_homodimer_design zinc_homodimer_setup

Test: linux.clang.profile

Failed sub-tests (click for more details):
build_rotamers

branch: rosetta:commits 「№20349」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」← 「74934afe2」 code diff
Scheduled at: 2024-03-18 19:58:33.648959

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←74934afe24244ad0dacaff9b11998a7869cba56f add support for PyRosetta ML builds ---------------- Merge commit message: fix compilation

Rosetta Benchmark 8 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №32 was submitted!

...

Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences AnchorFinder AnchoredDesign AnchoredPDBCreator BFactorSelector BuildPeptide CCS_PARCS ContactMolecularSurface DARC_electrostatics DARC_make_ray_files DARC_sampling_on_the_fly DARC_shapeonly DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FavorSequenceProfileMover FilterReportAsPoseExtraScoresMover FloppyTail HDXEnergy InterfaceAnalyzer InterfaceAnalyzer_allscores InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_metrics InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile InterfaceAnalyzer_tracer InterfaceDdG KIC_refine KIC_vicinity KIC_with_fragments LoopAnalyzer LoopLengthChange ModifyVariantTypeMover PDB_diagnostic ProQ RescorePDDF ResidueDisorder RunSimpleMetric_b_factor_test SID_ERMS_prediction SID_rescore SSElementSelector SnugDock ThreadingInputter UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm abinitio add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data angle_recovery_stats antibody_H3 antibody_H3_camelid antibody_designer antibody_designer_camelid antibody_designer_xml antibody_graft antibody_numbering_converter assemble_domains_jd2 auto-drrafter_setup_run_R1 auto-drrafter_setup_run_R2 auto-drrafter_setup_run_R3 autosetup_metals_centroid backrub backrub_interface_ddG backrub_pilot balancedKIC batch_relax beta_strand_homodimer binselector binselector_probins broker broker_membrane burial_measure_centroid buried_unsat_kinemage buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm c-term_conjugation calculate_sasa cart_min_glycans cartesianddg ccd_ends_graft_mover_rs centroid_disulfide_scores centroid_from_fullatom cl_complex_rescore classic_relax_1a19 cluster cluster_alns cluster_filter cmaes_minimizer coarse_rna_scoring combine_silent constel constraints_metric contactMap control_flow_rs 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_session_resource ddG_ensemble ddG_of_mutation ddG_scan 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 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 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 exclusively_shared_jumps extract_pdbs farfar_mrna farnesyl fast_relax favor_coupling_tensor favor_native_residue features features_database_schema features_parallel features_pdb 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 ga_ligand_dock ga_ligand_dock_amino_acid ga_ligand_dock_macrocycle gen_lig_grids generate_6Dloopclose genkic_bin_perturbing 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 glycopeptidedocking glycopeptidedocking_diglyco_long grid_scores_features hbnet_use_input_rot hbonds hbonds_sp2 hbs_design 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 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 loop_creation loop_grower_N_term_symm loop_hash loop_modeling 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 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 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_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 mpil_find_pore_ahelical mpil_find_pore_bbarrel mpil_load_implicit_lipids mr_protocols multistage_rosetta_scripts multistage_rosetta_scripts_clustering 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 phiselector phosphonate place_simultaneously 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 protocol_metric pwsho pymol_cif r_pdb2top r_rmsf ralford_dump_rotamers range_relax_w_cst rb_recces rdkit_metrics read_polymeric_components readin_dna_rna_protein real_virt_mover recces_turner recon_design relax_w_allatom_cst remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens report_hbonds_for_plugin res_lipo_ref2015_memb residue_energy_breakdown resource_database_locator restype_converter 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 rnp_ddg_calc_mut rnp_ddg_calc_wt rnp_ddg_relax_command_1 rnp_ddg_relax_command_2 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_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_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_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails 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_glycosylation simple_glycosylation_alternate_AAs simple_grafting_movers simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_b_factor simple_metrics_in_protocols simple_metrics_per_residue site_constraint small_molecule_lattice_dock startfrom_file stepwise_lores stored_residue_subset struc_set_fragment_picker super_aln supercharge 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_docking symmetry_data_resource symmetry_multicomponent target_clash tcrmodel template_features test1_benchmark test_computed_saxs_spectrum test_d_l_readin thermal_sampler threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs torsion_restricted_sampling trRosettaConstraintGenerator_rosettascripts trRosettaProtocolMover_rosettascripts trRosettaProtocolMover_rosettascripts_diskwrite trRosettaProtocolMover_rosettascripts_diskwrite_only validate_database vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file zinc_heterodimer zinc_homodimer_design zinc_homodimer_setup

Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
fragment_picker multithreaded_fastdesign multithreaded_fixbb multithreaded_packrotamersmover test_rosetta_thread_manager_advanced_API test_rosetta_thread_manager_basic_API

Test: linux.clang.performance

Failed sub-tests (click for more details):
core_scoring_Score instantiate_modules_simple_metrics protocols_moves_SmallMover

branch: rosetta:commits 「№20348」
Commited by: tydingcw
GitHub Pull Request link: 「№24」
Merge: 「717d2e823」← 「31843ca91」 code diff
Scheduled at: 2024-03-18 13:01:14.071654

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №24 RosettaCommons/rosetta/main ← tydingcw/rosetta/crosslinkmover_lanthionine Merge: 717d2e8232174371f0c672564f23a097062db88a←31843ca91352b4738dc092b1531be2fec43afdef Crosslinker Mover lanthionine ---------------- Merge commit message: changing the methylanthionine residues names to make life in rosetta a bit easier

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Test: linux.gcc.code_quality.beautification

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Test: linux.gcc.mpi.serialization.integration.mpi

Failed sub-tests (click for more details):
database_md5 replica_docking simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_lanthionine simple_cycpep_predict_thioether_lariat

Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
ambiguous_nmr_distance_constraint autoNOE_rosetta crosslinkermover_lanthionine crosslinkermover_methyllanthionine cyclization database_md5 ddG_of_mutation dehydro_aa_patch design_glycans fiber_diffraction_fad fold_and_dock noe_assignment number_of_residuetypes output_schema simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_lanthionine simple_cycpep_predict_thioether_cis_sampling simple_cycpep_predict_thioether_lariat

Test: linux.clang.tensorflow.integration.tensorflow

Failed sub-tests (click for more details):
database_md5

Test: linux.gcc.cxx11thread.integration.thread

Failed sub-tests (click for more details):
database_md5

Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
ambiguous_nmr_distance_constraint autoNOE_rosetta crosslinkermover_lanthionine crosslinkermover_methyllanthionine cyclization database_md5 ddG_of_mutation dehydro_aa_patch design_glycans fiber_diffraction_fad fold_and_dock noe_assignment number_of_residuetypes output_schema simple_cycpep_predict_beta_thioether_lariat simple_cycpep_predict_lanthionine simple_cycpep_predict_thioether_cis_sampling simple_cycpep_predict_thioether_lariat

Test: linux.clang.performance

Failed sub-tests (click for more details):
basic_options_OptionCollection core_import_pose_pose_from_pdbstring core_scoring_Score instantiate_modules_filters instantiate_modules_movers instantiate_modules_packer_palettes instantiate_modules_res_level_task_operations instantiate_modules_residue_selectors instantiate_modules_simple_metrics instantiate_modules_task_operations protocols_docking_DockingHighRes protocols_docking_DockingLowRes protocols_moves_ShearMover protocols_moves_SmallMover protocols_optimization_Minimizer_dfpmin protocols_optimization_Minimizer_dfpmin_armijo protocols_optimization_Minimizer_dfpmin_armijo_nonmonotone utility_tag_Tag_Create

Test: linux.clang.profile

Failed sub-tests (click for more details):
abinitio docking fixbb relax_native

branch: rosetta:commits 「№20347」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」← 「823dc6e74」 code diff
Scheduled at: 2024-03-17 20:52:24.378888

	linux.clang	linux.gcc	linux.srlz	mac.clang
debug
release
unit

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←823dc6e748ab5fd2982f773d7d3cb988ca4cfda3 add support for PyRosetta ML builds ---------------- Merge commit message: update config system so it now store Rosetta/PyRosetta extras

Rosetta Benchmark 8 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №32 was submitted!

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Test: linux.clang.build.debug

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Test: linux.gcc.build.debug

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Test: linux.gcc.cxx11thread.serialization.build.debug

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Test: linux.gcc.mpi.build.debug

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Test: linux.gcc.mpi.serialization.build.debug

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Test: mac.clang.build.debug

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Test: linux.clang.build.ninja_debug

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Test: linux.gcc.mpi.serialization.integration.mpi

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Test: torch.clang.pytorch.python39.integration.pytorch

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Test: linux.clang.integration.release_debug_no_symbols

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Test: linux.clang.tensorflow.integration.tensorflow

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Test: linux.gcc.cxx11thread.integration.thread

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Test: mac.clang.python39.integration

Failed sub-tests (click for more details):
AddConstraintsToCurrentConformationMover AlignPDBInfoToSequences AnchorFinder AnchoredDesign AnchoredPDBCreator BFactorSelector BuildPeptide CCS_PARCS ContactMolecularSurface DARC_electrostatics DARC_make_ray_files DARC_sampling_on_the_fly DARC_shapeonly DumpTrajectoryEnergy DumpTrajectoryEnergy_packing Enzrevert_xml FavorSequenceProfileMover FilterReportAsPoseExtraScoresMover FloppyTail HDXEnergy InterfaceAnalyzer InterfaceAnalyzer_allscores InterfaceAnalyzer_bothpack InterfaceAnalyzer_ligand InterfaceAnalyzer_metrics InterfaceAnalyzer_prepack InterfaceAnalyzer_resfile InterfaceAnalyzer_tracer InterfaceDdG KIC_refine KIC_vicinity KIC_with_fragments LoopAnalyzer LoopLengthChange ModifyVariantTypeMover PDB_diagnostic ProQ RescorePDDF ResidueDisorder RunSimpleMetric_b_factor_test SID_ERMS_prediction SID_rescore SSElementSelector SnugDock ThreadingInputter UBQ_E2_thioester UBQ_E2_thioester_extra_bodies UBQ_E2_thioester_two_ubiquitins UBQ_Gp_CYD-CYD UBQ_Gp_LYX-Cterm abinitio add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup add_job_pair_data angle_recovery_stats antibody_H3 antibody_H3_camelid antibody_designer antibody_designer_camelid antibody_designer_xml antibody_graft antibody_numbering_converter assemble_domains_jd2 auto-drrafter_setup_run_R1 auto-drrafter_setup_run_R2 auto-drrafter_setup_run_R3 autosetup_metals_centroid backrub backrub_interface_ddG backrub_pilot balancedKIC batch_relax beta_strand_homodimer binselector binselector_probins broker broker_membrane burial_measure_centroid buried_unsat_kinemage buried_unsat_voids_hbnet_design buried_unsat_voids_hbnet_design_symm c-term_conjugation calculate_sasa cart_min_glycans cartesianddg ccd_ends_graft_mover_rs centroid_disulfide_scores centroid_from_fullatom cl_complex_rescore classic_relax_1a19 cluster cluster_alns cluster_filter cmaes_minimizer coarse_rna_scoring combine_silent constel constraints_metric contactMap continuous_sewing_hasher control_flow_rs 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_session_resource ddG_ensemble ddG_of_mutation ddG_scan 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 discontinuous_sewing_hasher distances disulfidize_beta_cys 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 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 exclusively_shared_jumps extract_pdbs farfar_mrna farnesyl fast_relax favor_coupling_tensor favor_native_residue features features_database_schema features_parallel features_pdb 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 ga_ligand_dock ga_ligand_dock_amino_acid ga_ligand_dock_macrocycle gen_lig_grids generate_6Dloopclose genkic_bin_perturbing 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 glycopeptidedocking glycopeptidedocking_diglyco_long grid_scores_features hbnet_use_input_rot hbonds hbonds_sp2 hbs_design 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 interaction_graph_summary_metric interface_energy inv_kin_lig_loop_design inverse_rotamer_remodel 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 loop_creation loop_grower_N_term_symm loop_hash loop_modeling 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 membrane_relax membrane_relax_hbond metal_setup metalloprotein_abrelax 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 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_ref2015_memb mp_range_relax mp_relax mp_relax_w_ligand 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 mpil_find_pore_ahelical mpil_find_pore_bbarrel mpil_load_implicit_lipids mr_protocols multistage_rosetta_scripts multistage_rosetta_scripts_clustering 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 pepspec_anchor_dock peptiderive per_residue_energies per_residue_sc_sasa per_residue_solvent_exposure pertmin phiselector phosphonate place_simultaneously 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 protocol_metric pwsho pymol_cif r_pdb2top r_rmsf ralford_dump_rotamers range_relax_w_cst rb_recces rdkit_metrics read_polymeric_components readin_dna_rna_protein real_virt_mover recces_turner recon_design relax_w_allatom_cst remodel remodel_disulfides remodel_disulfides_rosettascripts remodel_helical_repeat repack_with_elec_dens report_hbonds_for_plugin res_lipo_ref2015_memb residue_energy_breakdown resource_database_locator restype_converter 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 rnp_ddg_calc_mut rnp_ddg_calc_wt rnp_ddg_relax_command_1 rnp_ddg_relax_command_2 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_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_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_tbmb simple_cycpep_predict_terminal_disulfide simple_cycpep_predict_terminal_disulfide_internal_permutations simple_cycpep_predict_terminal_disulfide_tails 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_glycosylation simple_glycosylation_alternate_AAs simple_grafting_movers simple_metric_cache simple_metric_features simple_metric_filter simple_metrics simple_metrics_b_factor simple_metrics_in_protocols simple_metrics_per_residue site_constraint small_molecule_lattice_dock startfrom_file stepwise_lores stored_residue_subset struc_set_fragment_picker super_aln supercharge 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_docking symmetry_data_resource symmetry_multicomponent target_clash tcrmodel template_features test1_benchmark test_computed_saxs_spectrum test_d_l_readin thermal_sampler threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric tna_base_pairs torsion_restricted_sampling trRosettaConstraintGenerator_rosettascripts trRosettaProtocolMover_rosettascripts trRosettaProtocolMover_rosettascripts_diskwrite trRosettaProtocolMover_rosettascripts_diskwrite_only validate_database vancomycin vip voids_penalty_energy_design voids_penalty_energy_design_symmetry write_mol_file zinc_heterodimer zinc_homodimer_design zinc_homodimer_setup

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branch: rosetta:commits 「№20346」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」← 「26055d31a」 code diff
Scheduled at: 2024-03-17 20:03:10.225917

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←26055d31a33ced9838cc95e69d7138203daff025 add support for PyRosetta ML builds ---------------- Merge commit message: update PyRosetta banner

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branch: rosetta:commits 「№20345」
Commited by: Jason C. Klima
GitHub Pull Request link: 「№33」
Merge: 「2c36cbc71」← 「dc6c143a4」 code diff
Scheduled at: 2024-03-17 19:13:56.829359

Pull Request №33 RosettaCommons/rosetta/main ← klimaj/rosetta/residue_selectors Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←dc6c143a4b9bf1aa4232311e2d4b9c1e3f7c67a0 Support python bitwise operators for residue selectors in PyRosetta ---------------- Merge commit message: Move src/pyrosetta/tests/bindings/core/test_residue_selectors.py to src/test/T121_core.ResidueSelector.py

Summary

...

branch: rosetta:commits 「№20344」
Commited by: Sergey Lyskov
GitHub Pull Request link: 「№32」
Merge: 「2c36cbc71」← 「ddf3f9e55」 code diff
Scheduled at: 2024-03-17 15:54:50.884152

Pull Request №32 RosettaCommons/rosetta/main ← lyskov/rosetta/pyrosetta Merge: 2c36cbc7108d85646ca5b8ddc89c29ac1ccde88e←ddf3f9e55614aaa23aae7c882e0ad85f06538b22 add support for PyRosetta ML builds ---------------- Merge commit message: add LICENSE.PyRosetta.md

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