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Revisions №291

branch: release 「№291」
Commited by: Daniel Farrell
GitHub commit link: 「101ad938a08a0516」
Difference from previous tested commit:  code diff
Commit date: 2021-07-29 19:51:29
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta4.unit mac.PyRosetta.unit mysql postgres mpi mpi.serialization linux.icc.build.debug OpenCL build.header build.levels static serialization integration.mpi 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.python39.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug mac.clang.python37.release.PyRosetta4.Debug mac.clang.python38.release.PyRosetta4.Debug mac.clang.python39.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 linux.clang.python39.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python37.release.PyRosetta4.MinSizeRel mac.clang.python38.release.PyRosetta4.MinSizeRel mac.clang.python39.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 ubuntu.clang.python39.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.release.PyRosetta4.Release linux.clang.python38.release.PyRosetta4.Release linux.clang.python39.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release mac.clang.python37.release.PyRosetta4.Release mac.clang.python38.release.PyRosetta4.Release mac.clang.python39.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 ubuntu.clang.python39.release.PyRosetta4.Release linux.clang.cxx11thread.serialization.python36.release.PyRosetta4.conda.Release linux.clang.cxx11thread.serialization.python37.release.PyRosetta4.conda.Release linux.clang.cxx11thread.serialization.python38.release.PyRosetta4.conda.Release linux.clang.cxx11thread.serialization.python39.release.PyRosetta4.conda.Release mac.clang.cxx11thread.serialization.python36.release.PyRosetta4.conda.Release mac.clang.cxx11thread.serialization.python37.release.PyRosetta4.conda.Release mac.clang.cxx11thread.serialization.python38.release.PyRosetta4.conda.Release mac.clang.cxx11thread.serialization.python39.release.PyRosetta4.conda.Release release.PyRosetta4.documentation linux.gcc.static.release.binary mac.clang.static.release.binary release.source linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps

dock pdb into density app (#5053) This is one of the apps I've made as part of my thesis project. it's purpose is to dock a pdb file, or ensemble of pdb files, into density and report back the ones that best fit the density currently i've called it dgdp for density guided domain placement, but that's sort of a strange name. maybe I'll just take over frank's pilot apps name (dock_pdb_into_density) It unfortunately overlaps with the DockIntoDensityMover a lot, but its differences are: it can be parallelized much more (which is necessary when docking large poses into density, otherwise one pdb can take 1+ days). there are important differences in the ways clustering is performed things are clustered not at the "point level" but rather over all points different mapresolutions are used during different stages to obtain more accurate density scoring. there is native checking implemented for multiple natives (ie multiple copies of the same chain in the complex) it also comes with a python script that manages the job distribution on a Slurm cluster (although I will add an option to run it locally) add documentation test script add some integration tests review the code and see what crazy things I was doing 4 years ago can confirm it's crazy change fragment docker name to dockfragmentmover