rdkit2fps(1) [debian man page]

RDKIT2FPS(1)							   User Commands						      RDKIT2FPS(1)

NAME

       rdkit2fps - rdkit2fps

DESCRIPTION

       usage: rdkit2fps [-h] [--RDK] [--fpSize INT] [--minPath INT] [--maxPath INT]

	      [--nBitsPerHash  INT]  [--useHs  USEHS] [--maccs166] [--substruct] [--rdmaccs] [--id-tag NAME] [--in FORMAT] [-o FILENAME] [--errors
	      {strict,report,ignore}] [filenames [filenames ...]]

       Generate FPS fingerprints from a structure file using RDKit

   positional arguments:
       filenames
	      input structure files (default is stdin)

   optional arguments:
       -h, --help
	      show this help message and exit

       --id-tag NAME
	      tag name containing the record id (SD files only)

       --in FORMAT
	      input structure format (default guesses from filename)

       -o FILENAME, --output FILENAME
	      save the fingerprints to FILENAME (default=stdout)

       --errors {strict,report,ignore}
	      how should structure parse errors be handled?  (default=strict)

   RDKit topological fingerprints:
       --RDK  generate RDK fingerprints (default)

       --fpSize INT
	      number of bits in the fingerprint (default=2048)

       --minPath INT
	      minimum number of bonds to include in the subgraphs (default=1)

       --maxPath INT
	      maximum number of bonds to include in the subgraphs (default=7)

       --nBitsPerHash INT
	      number of bits to set per path (default=4)

       --useHs USEHS
	      information about the number of hydrogens on each atom

   166 bit MACCS substructure keys:
       --maccs166
	      generate MACCS fingerprints

   881 bit substructure keys:
       --substruct
	      generate ChemFP substructure fingerprints

   ChemFP version of the 166 bit RDKit/MACCS keys:
       --rdmaccs
	      generate 166 bit RDKit/MACCS fingerprints

       This program guesses the input structure format based on the filename extension. If the data comes from stdin, or  the  extension  name	us
       unknown, then use "--in" to change the default input format. The supported format extensions are:

       File Type
	      Valid FORMATs (use gz if compressed)

       ---------      ------------------------------------

       SMILES
	      smi, ism, can, smi.gz, ism.gz, can.gz

       SDF    sdf, mol, sd, mdl, sdf.gz, mol.gz, sd.gz, mdl.gz

rdkit2fps 1.0							     June 2012							      RDKIT2FPS(1)

Check Out this Related Man Page

MECAB(1)							       MeCab								  MECAB(1)

NAME

       mecab - Yet Another Part-of-Speech and Morphological Analyzer

SYNOPSIS

       mecab [options] files

DESCRIPTION

       MeCab: Yet Another Part-of-Speech and Morphological Analyzer

       Copyright(C) 2001-2008 Taku Kudo Copyright(C) 2004-2008 Nippon Telegraph and Telephone Corporation

       -r, --rcfile=FILE
	      use FILE as resource file

       -d, --dicdir=DIR
	      set DIR  as a system dicdir

       -u, --userdic=FILE
	      use FILE as a user dictionary

       -l, --lattice-level=INT
	      lattice information level (default 0)

       -D, --dictionary-info
	      show dictionary information and exit

       -a, --all-morphs
	      output all morphs(default false)

       -O, --output-format-type=TYPE
	      set output format type (wakati,none,...)

       -p, --partial
	      partial parsing mode

       -F, --node-format=STR
	      use STR as the user-defined node format

       -U, --unk-format=STR
	      use STR as the user-defined unk format

       -B, --bos-format=STR
	      use STR as the user-defined bos format

       -E, --eos-format=STR
	      use STR as the user-defined eos format

       -x, --unk-feature=STR
	      use STR as the feature for unknown word

       -b, --input-buffer-size=INT
	      set input buffer size (default 8192)

       -P, --dump-config
	      dump MeCab parameters

       -M, --open-mutable-dictionary
	      open dictioanry with mutable mode (experimental)

       -C, --allocate-sentence
	      allocate new memory for input sentence

       -N, --nbest=INT
	      output N best results (default 1)

       -t, --theta=FLOAT
	      set temparature parameter theta (default 0.75)

       -c, --cost-factor=INT
	      set cost factor (default 700)

       -o, --output=FILE
	      set the output file name

       -v, --version
	      show the version and exit.

       -h, --help
	      show this help and exit.

mecab of 0.98pre1						    March 2009								  MECAB(1)

Linux and UNIX Man Pages

rdkit2fps(1) [debian man page]

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