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Revisions №61129

branch: master 「№61129」
Commited by: Vikram K. Mulligan
GitHub commit link: 「3d4081e711726d93」 「№4474」
Difference from previous tested commit:  code diff
Commit date: 2020-02-08 02:21:28
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta4.notebook gcc-9.gcc.python37.PyRosetta4.unit linux.clang.cxx11thread.serialization.python37.PyRosetta4.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug build.cppcheck alpine.gcc.build.debug gcc-9.gcc.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug mpi mpi.serialization linux.icc.build.debug OpenCL mac.clang.python36.build.debug build.header build.levels build.ninja_debug graphics static mac.clang.static.build.release linux.ui mac.ui build.xcode beautification code_quality.clang_analysis code_quality.clang_tidy serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration.ubsan integration maintenance.documentation performance profile linux.clang.python36.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python35.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python37.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release release.PyRosetta4.conda.Release release.source scientific.FlexPepDock scientific.antibody_grafting.debug scientific.antibody_grafting scientific.antibody_h3_modeling.debug scientific.ddg_ala_scan.debug scientific.ddg_ala_scan scientific.mp_dock.debug scientific.mp_domain_assembly.debug scientific.mp_f19_ddG_of_mutation scientific.mp_lipid_acc.debug scientific.mp_relax.debug scientific.mp_symdock.debug scientific.protein_data_bank_diagnostic.full scientific.relax_fast_5iter scientific.rna_denovo_favorites.debug scientific.sewing scientific.simple_cycpep_predict.debug linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release unit.ubsan gcc-9.gcc.unit util.apps

Merge pull request #4474 from RosettaCommons/vmullig/no_movemap_controlling_packing_in_fastrelax Ensure more consistent default user interface for FastRelax At some point, someone added something to FastRelax that disables packing at positions where the MoveMap prohibits sidechain minimization. This is counter-intuitive behaviour: normally, MoveMaps control minimization and task operations control packing. This is what we teach new users, and this is what experienced users expect, so it's an unexpected side-effect to disable minimization at a position and to find that that position is no longer packing. Worse, this is one-way behaviour: a user that sets up a task operation that prohibits packing at position 5 does not automatically disable sidechain minimization at position 5, but a user who disables sidechain minimization at position 5 _does_ prevent packing at position 5. I'm disabling this behaviour unless the user opts _in_ by turning on a suitable commandline flag, RosettaScripts option, or C++ and Python-accessible option in the FastRelax object. Tasks: - [x] Add commandline flag to turn _on_ the old behaviour. - [x] Add FastRelax setting to turn _on_ the old behaviour. - [x] Setters and getters for C++ and Python. - [x] Option accessible to `parse_my_tag()` and `provide_xml_schema()` for RosettaScripts. - [x] Have the option enable the old behaviour, and disable it otherwise. - [x] Beauty. - [x] Check tests. - [x] Update documentation.

Sergey Lyskov 2 months
demo!
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Test: ubuntu.gcc.integration.addsan

Failed sub-tests (click for more details):
glycan_tree_relax
Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
prepare_ligand protein_design
Test: linux.clang.scientific.relax_fast_5iter

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