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