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Rosetta
2021.16
|
Classes | |
| class | PyJobDistributor |
Functions | |
| def | output_scorefile |
| def pyrosetta.toolbox.py_jobdistributor.output_scorefile | ( | pose, | |
| pdb_name, | |||
| current_name, | |||
| scorefilepath, | |||
| scorefxn, | |||
| nstruct, | |||
native_pose = None, |
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additional_decoy_info = None, |
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json_format = True |
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| ) |
Moved from PyJobDistributor (Jared Adolf-Bryfogle) Creates a scorefile if none exists, or appends the current one. Calculates and writes CA_rmsd if native pose is given, as well as any additional decoy info
References utility::options::OptionKeys::options.exit, basic::options::OptionKeys::in::file.list, basic::database.open(), and basic::options::OptionKeys::DisulfideInsertion.scorefxn.
Referenced by pyrosetta.toolbox.py_jobdistributor.PyJobDistributor.output_decoy().
1.8.7