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Revisions №61387

branch: master 「№61387」
Commited by: Daniel Farrell
GitHub commit link: 「973e17960fef37e5」
Difference from previous tested commit:  code diff
Commit date: 2020-08-26 14:42:08
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 alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.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 build.xcode beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck serialization code_quality.submodule_regression integration.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration.ubsan integration.valgrind integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug linux.clang.python38.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python38.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.release.PyRosetta4.MinSizeRel ubuntu.clang.python38.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release ubuntu.clang.python38.release.PyRosetta4.Release release.PyRosetta4.conda.Release release.source scientific.FlexPepDock.debug scientific.FlexPepDock scientific.antibody_grafting.debug scientific.antibody_grafting scientific.antibody_snugdock scientific.cofactor_binding_sites scientific.ddg_ala_scan scientific.docking scientific.mp_f19_ddG_of_mutation.debug scientific.mp_f19_ddG_of_mutation scientific.mp_f19_decoy_discrimination.debug scientific.mp_f19_sequence_recovery.debug scientific.mp_symdock scientific.relax_cartesian.debug scientific.relax_cartesian scientific.relax_fast.debug scientific.sewing.debug scientific.sewing 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

reduce nbr_radius to something reasonable for DNA params (#4933) It would appear dna has had its NBR_RADIUS set to 1000 for a very long time. This isn't super scientific (I just used the calculated radius of GUA from molfile_to_params.py) for all of them (+0.1) Perhaps in the future it might be smart to remake them in-case something else is wrong, but frank says that he has some DNA fixes #4871 and that these params seem to work well for him in that branch so its likely that only the NBR_RADIUS needs to be updated danpf 2020-08-26 NBR WAS set to 1000.0, I set it to the value molfile_to_params.py set for GUA on a single PDB + 0.1 it is possible this could be improved, but this seems good enough for now as it is no longer 1000.0.

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