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Revisions №60332

branch: master 「№60332」
Commited by: Jack Maguire
GitHub commit link: 「469d6ff9cb2c10bb」 「№3355」
Difference from previous tested commit:  code diff
Commit date: 2018-08-01 19:55:08
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck mysql postgres linux.zeromq.debug mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels ninja graphics static linux.ui mac.ui beautification code_quality.clang_analysis serialization integration.mpi integration.release_debug integration.tutorials integration.valgrind integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python35.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release release.source scientific.protein_data_bank_diagnostic.cif linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release

Merge pull request #3355 from RosettaCommons/JackMaguire/FastDesignScriptsInDatabase Creating Database Directory For RelaxScripts Currently, the only way to run FastRelax/FastDesign is to either provide your own relax script or use one of the defaults hard-coded in the c++. This PR creates the directory main/database/sampling/relax_scripts where anyone can add scripts that are non-default but general enough to be used by other people. Now, FastRelax parses the optional relaxscript tag and looks for the script in database/sampling/relax_scripts if it otherwise does not exist (i.e., if the file is not local to the working directory). For example, you might develop a relaxscript that works well for carbohydrates and write database/sampling/relax_scripts/carbohydrates.txt. Anyone could use it by adding the tag <FastDesign relaxscript="carbohydrates"/>. I think it's worth noting that I have not changed any of the previously defined behavior; nobody's rosetta_scripts will behave differently if this PR is accepted. All I have done is added a set of additional cases for the relaxscript option and rearranged how some information is stored.

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Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup batch_relax broker_membrane buried_unsat_voids_hbnet_design_symm cart_min_glycans 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_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cyclization cycpep_design_pipeline d_workflow dcys_disulfidize density_refine density_refine_symm docking_ensemble_prepack evolution farnesyl fast_relax fiber_diffraction_fad fold_and_dock ga_ligand_dock glycan_anomers hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm homodimer_fnd_ref2015_memb hybridization hydrate_relax jrelax membrane_relax membrane_relax_hbond metalloprotein_abrelax mirror_symm mp_relax mp_relax_w_ligand mr_protocols noe_assignment oligourea_design oligourea_predict pna pocket_relax ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG relax_w_allatom_cst remodel_disulfides rs_flexbbmoves rs_loophash simple_cycpep_predict simple_cycpep_predict_angle simple_cycpep_predict_anglelength 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_nterm_isopeptide_lariat simple_cycpep_predict_nterm_isopeptide_lariat_tailless simple_cycpep_predict_octahedral_metal 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_tma simple_cycpep_predict_trigonal_planar_metal simple_cycpep_predict_trigonal_pyramidal_metal stored_residue_subset symm_rotamer_boltzmann threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric vip
Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
advanced_protein-protein_docking
Test: mac.clang.integration

Failed sub-tests (click for more details):
add_helix_sequence_constraints add_helix_sequence_constraints_advanced_setup batch_relax broker_membrane buried_unsat_voids_hbnet_design_symm cart_min_glycans 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_tma crosslinkermover_tma_symm crosslinkermover_trigonal_planar crosslinkermover_trigonal_planar_c3_symm crosslinkermover_trigonal_pyramidal crosslinkermover_trigonal_pyramidal_c3_symm cyclization cycpep_design_pipeline d_workflow dcys_disulfidize density_refine density_refine_symm docking_ensemble_prepack evolution farnesyl fast_relax fiber_diffraction_fad fold_and_dock ga_ligand_dock glycan_anomers hbnet_energy hbnet_energy_rosettascripts_linear hbnet_energy_symm homodimer_fnd_ref2015_memb hybridization hydrate_relax jrelax membrane_relax membrane_relax_hbond metalloprotein_abrelax mirror_symm mp_relax mp_relax_w_ligand mr_protocols noe_assignment oligourea_design oligourea_predict pna pocket_relax ppi_v3_suiteA ppi_v3_suiteB ppi_v3_suiteC ppi_v3_suiteD ppi_v3_suiteE ppi_v3_suiteF ppi_v3_suiteG relax_w_allatom_cst remodel_disulfides rs_flexbbmoves rs_loophash simple_cycpep_predict simple_cycpep_predict_angle simple_cycpep_predict_anglelength 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_nterm_isopeptide_lariat simple_cycpep_predict_nterm_isopeptide_lariat_tailless simple_cycpep_predict_octahedral_metal 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_tma simple_cycpep_predict_trigonal_planar_metal simple_cycpep_predict_trigonal_pyramidal_metal stored_residue_subset symm_rotamer_boltzmann threefold_symm_peptide_design threefoldlinkermover_tbmb threefoldlinkermover_tbmb_symmetric vip
Test: linux.clang.performance

Failed sub-tests (click for more details):
core_scoring_Score_100x_envsmooth
Test: linux.clang.scientific.protein_data_bank_diagnostic.cif

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