Linux and UNIX Man Pages

Linux & Unix Commands - Search Man Pages

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

VERIEXECGEN(8)						    BSD System Manager's Manual 					    VERIEXECGEN(8)

NAME
veriexecgen -- generate fingerprints for Veriexec SYNOPSIS
veriexecgen [-AaDrSTvW] [-d dir] [-o fingerprintdb] [-p prefix] [-t algorithm] veriexecgen [-h] DESCRIPTION
veriexecgen can be used to create a fingerprint database for use with Veriexec. If no command line arguments were specified, veriexecgen will resort to default operation, implying -D -o /etc/signatures -t sha256. If the output file already exists, veriexecgen will save a backup copy in the same file only with a ``.old'' suffix. The following options are available: -A Append to the output file, don't overwrite it. -a Add fingerprints for non-executable files as well. -D Search system directories, /bin, /sbin, /usr/bin, /usr/sbin, /lib, /usr/lib, /libexec, and /usr/libexec. -d dir Scan for files in dir. Multiple uses of this flag can specify more than one directory. -h Display the help screen. -o fingerprintdb Save the generated fingerprint database to fingerprintdb. -p prefix When storing files in the fingerprint database, store the full pathnames of files with the leading ``prefix'' of the filenames removed. -r Scan recursively. -S Set the immutable flag on the created signatures file when done writing it. -T Put a timestamp on the generated file. -t algorithm Use algorithm for the fingerprints. Must be one of ``md5'', ``sha1'', ``sha256'', ``sha384'', ``sha512'', or ``rmd160''. -v Verbose mode. Print messages describing what operations are being done. -W By default, veriexecgen will exit when an error condition is encountered. This option will treat errors such as not being able to follow a symbolic link, not being able to find the real path for a directory entry, or not being able to calculate a hash of an entry as a warning, rather than an error. If errors are treated as warnings, veriexecgen will continue processing. The default behaviour is to treat errors as fatal. FILES
/etc/signatures EXAMPLES
Fingerprint files in the common system directories using the default hashing algorithm ``sha256'' and save to the default fingerprint data- base in /etc/signatures: # veriexecgen Fingerprint files in /etc, appending to the default fingerprint database: # veriexecgen -A -d /etc Fingerprint files in /path/to/somewhere using ``rmd160'' as the hashing algorithm, saving to /etc/somewhere.fp: # veriexecgen -d /path/to/somewhere -t rmd160 -o /etc/somewhere.fp SEE ALSO
veriexec(4), veriexec(5), security(7), veriexec(8), veriexecctl(8) BSD
February 18, 2008 BSD
Man Page