---
name: "ob2fps"
section: "1"
platform: "linux"
package: "python-chemfp"
version: "1.1p1-2.1"
release: "Debian 10 (Buster)"
platforms: ["linux"]
url: "https://new.carta.tech/ob2fps"
---

# ob2fps(1)

ob2fps

## 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)