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Revisions №60822

branch: master 「№60822」
Commited by: Rocco Moretti
GitHub commit link: 「8a9bd13d7fa1a9c1」 「№4064」
Difference from previous tested commit:  code diff
Commit date: 2019-07-08 12:32:01
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.PyRosetta.unit linux.gcc.python37.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug cppcheck 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 ninja graphics static linux.ui mac.ui build.xcode beautification code_quality.clang_analysis serialization integration.addsan integration.mpi integration.release_debug integration.ubsan integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python35.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python35.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python35.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python35.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release release.source scientific.antibody_grafting.debug scientific.antibody_grafting scientific.cartesian_relax.debug scientific.cartesian_relax scientific.enzyme_design.debug scientific.enzyme_design scientific.fast_relax.debug scientific.fast_relax scientific.protein_data_bank_diagnostic.full 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 util.apps

Merge pull request #4064 from RosettaCommons/roccomoretti/ligand_converter A simple restype conversion utility. One missing feature that comes up occasionally for me is the lack of a simple way of taking an arbitrary params file (or similar) and converting it into a viewable output. This PR adds a simple utility application which allows you to specify certain residue types from the database (including patched types), CCD or command line, and output them in PDB, sdf or params file output. Note that currently there's no guarantee that any of the output formats are able to be round-tripped through Rosetta, or that they're usable for all but the most rudimentary purposes. But it should be enough to get a PyMol-loadable pdb or a params file skeleton of a given ResidueType.