This is the command ob2fps that can be run in the OnWorks free hosting provider using one of our multiple free online workstations such as Ubuntu Online, Fedora Online, Windows online emulator or MAC OS online emulator
PROGRAM:
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)
Use ob2fps online using onworks.net services
