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  • pdbe
  • ccdutilsccdutils
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  • #28

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Created Sep 27, 2017 by Oliver Smart@oliver_smartMaintainer

process_components_cif separate out functionality to split into individual cif

  • from discussion with Sameer.
  • for production want to be able to start processes that just depend on the split PDB-CCD mmcif as soon as possible
  • so add command line options to process_components cif
option what
--just_mmcif does the split into individual mmcif files but no further processing. The --output_dir must be specified with this option.
--apart_from_mmcif used after --just_mmcif to do the rest of the processing into coordinate files images chem.xml etc. The --output_dir option must be specified with this option. --clean must not be.
--clean remove any existing output_dir completely
  • not sure whether this is necessary need to sort out #29 #30 first.
Edited Sep 28, 2017 by Oliver Smart
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