.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.38.2.
.TH SDF2FPS "1" "June 2012" "sdf2fps 1.0" "User Commands"
.SH NAME
sdf2fps \- sdf2fps
.SH DESCRIPTION
usage: sdf2fps [\-h] [\-\-id\-tag TAG] [\-\-fp\-tag TAG] [\-\-num\-bits INT]
.IP
[\-\-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 ...]]
.PP
Extract a fingerprint tag from an SD file and generate FPS fingerprints
.SS "positional arguments:"
.TP
filenames
input SD files (default is stdin)
.SS "optional arguments:"
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-\-id\-tag\fR TAG
get the record id from TAG instead of the first line
of the record
.TP
\fB\-\-fp\-tag\fR TAG
get the fingerprint from tag TAG (required)
.TP
\fB\-\-num\-bits\fR 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.
.TP
\fB\-\-errors\fR {strict,report,ignore}
how should structure parse errors be handled?
(default=strict)
.TP
\fB\-o\fR FILENAME, \fB\-\-output\fR FILENAME
save the fingerprints to FILENAME (default=stdout)
.TP
\fB\-\-software\fR TEXT
use TEXT as the software description
.TP
\fB\-\-type\fR TEXT
use TEXT as the fingerprint type description
.TP
\fB\-\-decompress\fR METHOD
use METHOD to decompress the input (default='auto',
\&'none', 'gzip', 'bzip2')
.SS "Fingerprint decoding options:"
.TP
\fB\-\-binary\fR
Encoded with the characters '0' and '1'. Bit #0 comes
first. Example: 00100000 encodes the value 4
.TP
\fB\-\-binary\-msb\fR
Encoded with the characters '0' and '1'. Bit #0 comes
last. Example: 00000100 encodes the value 4
.TP
\fB\-\-hex\fR
Hex encoded. Bit #0 is the first bit (1<<0) of the
first byte. Example: 01f2 encodes the value \ex01\exf2 =
498
.TP
\fB\-\-hex\-lsb\fR
Hex encoded. Bit #0 is the eigth bit (1<<7) of the
first byte. Example: 804f encodes the value \ex01\exf2 =
498
.TP
\fB\-\-hex\-msb\fR
Hex encoded. Bit #0 is the first bit (1<<0) of the
last byte. Example: f201 encodes the value \ex01\exf2 =
498
.TP
\fB\-\-base64\fR
Base\-64 encoded. Bit #0 is first bit (1<<0) of first
byte. Example: AfI= encodes value \ex01\exf2 = 498
.TP
\fB\-\-cactvs\fR
CACTVS encoding, based on base64 and includes a
version and bit length
.TP
\fB\-\-decoder\fR DECODER
import and use the DECODER function to decode the
fingerprint
.SS "shortcuts:"
.TP
\fB\-\-pubchem\fR
decode CACTVS substructure keys used in PubChem. Same
as \fB\-\-software\fR=\fICACTVS\fR/unknown \fB\-\-type\fR 'CACTVSE_SCREEN/1.0 extended=2' \fB\-\-fptag\fR=\fIPUBCHEM_CACTVS_SUBSKEYS\fR \fB\-\-cactvs\fR