bionic (1) sdf2fps.1.gz

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