ob2fps(1) debian man page | unix.com

OB2FPS(1)							   User Commands							 OB2FPS(1)

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 1.0							     June 2012								 OB2FPS(1)