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

-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')

--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

--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

May 2013

sdf2fps 1.1p1