SDF2FPS(1)							   User Commands							SDF2FPS(1)

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] [--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 x01xf2 = 498

       --hex-lsb
	      Hex encoded. Bit #0 is the eigth bit (1<<7) of the first byte. Example: 804f encodes the value x01xf2 = 498

       --hex-msb
	      Hex encoded. Bit #0 is the first bit (1<<0) of the last byte. Example: f201 encodes the value x01xf2 = 498

       --base64
	      Base-64 encoded. Bit #0 is first bit (1<<0) of first byte. Example: AfI= encodes value x01xf2 = 498

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

       --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

sdf2fps 1.0							     June 2012								SDF2FPS(1)