Provided by: python-chemfp_1.1p1-2.1_amd64 bug


       ob2fps - ob2fps


       usage: ob2fps [-h] [--FP2 | --FP3 | --FP4 | --MACCS | --substruct | --rdmaccs]

              [--id-tag  NAME]  [--in  FORMAT]  [-o  FILENAME]  [--errors {strict,report,ignore}]
              [filenames [filenames ...]]

       Generate FPS fingerprints from a structure file using OpenBabel

   positional arguments:
              input structure files (default is stdin)

   optional arguments:
       -h, --help
              show this help message and exit





              generate ChemFP substructure fingerprints

              generate 166 bit RDKit/MACCS fingerprints

       --id-tag NAME
              tag name containing the record id (SD files only)

       --in FORMAT
              input structure format (default autodetects from the filename extension)

       -o FILENAME, --output FILENAME
              save the fingerprints to FILENAME (default=stdout)

       --errors {strict,report,ignore}
              how should structure parse errors be handled?  (default=strict)