NAME

       ob2fps - ob2fps

DESCRIPTION

       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:
       filenames
              input structure files (default is stdin)

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

       --FP2

       --FP3

       --FP4

       --MACCS

       --substruct
              generate ChemFP substructure fingerprints

       --rdmaccs
              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)

ob2fps 1.1p1                                        May 2013                                           OB2FPS(1)