---
name: "sdf2fps"
section: "1"
platform: "linux"
package: "python-chemfp"
version: "1.1p1-2.1"
release: "Debian 10 (Buster)"
platforms: ["linux"]
url: "https://new.carta.tech/sdf2fps"
---

# sdf2fps(1)

sdf2fps

## NAME

sdf2fps - sdf2fps

## DESCRIPTION

usage: sdf2fps \[-h\] \[--id-tag TAG\] \[--fp-tag TAG\] \[--num-bits INT\]

-

  \[--errors {strict,report,ignore}\] \[-o FILENAME\] \[--software TEXT\] \[--type TEXT\] \[--decompress METHOD\] \[--binary\] \[--binary-msb\] \[--hex\] \[--hex-lsb\] \[--hex-msb\] \[--base64\] \[--cactvs\] \[--daylight\] \[--decoder DECODER\] \[--pubchem\] \[filenames \[filenames ...\]\]

Extract a fingerprint tag from an SD file and generate FPS fingerprints

### positional arguments:

- filenames

  input SD files (default is stdin)

### optional arguments:

- **-h**, **--help**

  show this help message and exit

- **--id-tag** TAG

  get the record id from TAG instead of the first line of the record

- **--fp-tag** TAG

  get the fingerprint from tag TAG (required)

- **--num-bits** INT

  use the first INT bits of the input. Use only when the last 1-7 bits of the last byte are not part of the fingerprint. Unexpected errors will occur if these bits are not all zero.

- **--errors** {strict,report,ignore}

  how should structure parse errors be handled? (default=strict)

- **-o** FILENAME, **--output** FILENAME

  save the fingerprints to FILENAME (default=stdout)

- **--software** TEXT

  use TEXT as the software description

- **--type** TEXT

  use TEXT as the fingerprint type description

- **--decompress** METHOD

  use METHOD to decompress the input (default='auto', 'none', 'gzip', 'bzip2')

### Fingerprint decoding options:

- **--binary**

  Encoded with the characters '0' and '1'. Bit #0 comes first. Example: 00100000 encodes the value 4

- **--binary-msb**

  Encoded with the characters '0' and '1'. Bit #0 comes last. Example: 00000100 encodes the value 4

- **--hex**

  Hex encoded. Bit #0 is the first bit (1\<\<0) of the first byte. Example: 01f2 encodes the value \\x01\\xf2 = 498

- **--hex-lsb**

  Hex encoded. Bit #0 is the eigth bit (1\<\<7) of the first byte. Example: 804f encodes the value \\x01\\xf2 = 498

- **--hex-msb**

  Hex encoded. Bit #0 is the first bit (1\<\<0) of the last byte. Example: f201 encodes the value \\x01\\xf2 = 498

- **--base64**

  Base-64 encoded. Bit #0 is first bit (1\<\<0) of first byte. Example: AfI= encodes value \\x01\\xf2 = 498

- **--cactvs**

  CACTVS encoding, based on base64 and includes a version and bit length

- **--daylight**

  Daylight encoding, which is is base64 variant

- **--decoder** DECODER

  import and use the DECODER function to decode the fingerprint

### shortcuts:

- **--pubchem**

  decode CACTVS substructure keys used in PubChem. Same as **--software**=*CACTVS*/unknown **--type** 'CACTVSE\_SCREEN/1.0 extended=2' **--fptag**=*PUBCHEM\_CACTVS\_SUBSKEYS* **--cactvs**