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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

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.

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