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NAME

InfoFingerprintsTextFiles.pl - List information about fingerprints data in TextFile(s)

SYNOPSIS

InfoFingerprintsTextFiles.pl TextFile(s)...

InfoFingerprintsTextFiles.pl [-a, --all] [--AverageBitDensity] [--BitDensity] [-c, --count] [-c, --ColMode ColNum | ColLabel] [--DataCheck] [-d, --detail InfoLevel] [-e, --empty] [--FingerprintsCol col number | col name] [--FingerprintsType] [--FingerprintsDescription] [--FingerprintsSize] [--FingerprintsBitStringFormat] [--FingerprintsBitOrder] [--FingerprintsVectorValuesType] [--FingerprintsVectorValuesFormat] [-h, --help] [--InDelim comma | semicolon] [--NumOfOnBits] [--NumOfNonZeroValues] [-w, --WorkingDir dirname] TextFile(s)...

DESCRIPTION

List information about fingerprints data in TextFile(s): number of rows containing fingerprints data, type of fingerprints vector, description and size of fingerprints, bit density and average bit density for bit-vector fingerprints strings, and so on.

The valid file extensions are .csv and .tsv for comma/semicolon and tab delimited text files respectively. All other file names are ignored. All the text files in a current directory can be specified by *.csv, *.tsv, or the current directory name. The --indelim option determines the format of TextFile(s). Any file which doesn't correspond to the format indicated by --indelim option is ignored.

Format of fingerprint strings data in TextFile(s) is automatically detected. The current release of MayaChemTools supports the following types of fingerprint bit-vector and vector strings:

OPTIONS

-a, --all

List all the available information.

--AverageBitDensity

List average bit density of fingerprint bit-vector strings.

--BitDensity

List bit density of fingerprints bit-vector strings data in each row.

--count

List number of rows containing fingerprints bit-vector or vector strings data. This is default behavior.

-c, --ColMode ColNum | ColLabel

Specify how columns are identified in TextFile(s): using column number or column label. Possible values: ColNum or ColLabel. Default value: ColNum

-d, --detail InfoLevel

Level of information to print about lines being ignored. Default: 1. Possible values: 1, 2 or 3.

--DataCheck

Validate fingerprints data specified using --FingerprintsCol and list information about missing and invalid data.

-e, --empty

List number of rows containing no fingerprints data.

--FingerprintsCol col number | col name

This value is -c, --colmode specific. It corresponds to column in TextFile(s) containing fingerprints data. Possible values: col number or col label. Default value: first column containing the word Fingerprints in its column label.

--FingerprintsType

List types of fingerprint strings: FingerprintsBitVector or FingerprintsVector.

--FingerprintsDescription

List types of fingerprints: PathLengthBits, PathLengthCount, MACCSKeyCount, ExtendedConnectivity and so on.

--FingerprintsSize

List size of fingerprints.

--FingerprintsBitStringFormat

List format of fingerprint bit-vector strings: BinaryString or HexadecimalString.

--FingerprintsBitOrder

List order of bits data in fingerprint bit-vector bit strings: Ascending or Descending.

--FingerprintsVectorValuesType

List type of values in fingerprint vector strings: OrderedNumericalValues, NumericalValues or AlphaNumericalValues.

--FingerprintsVectorValuesFormat

List format of values in fingerprint vector strings: ValuesString, IDsAndValuesString, IDsAndValuesPairsString, ValuesAndIDsString or ValuesAndIDsPairsString.

-h, --help

Print this help message.

--InDelim comma | semicolon

Input delimiter for CSV TextFile(s). Possible values: comma or semicolon. Default value: comma. For TSV files, this option is ignored and tab is used as a delimiter.

--NumOfOnBits

List number of on bits in fingerprints bit-vector strings data in each row.

--NumOfNonZeroValues

List number of non-zero values in fingerprints vector strings data in each row.

-w, --WorkingDir DirName

Location of working directory. Default: current directory.

EXAMPLES

To count number of lines containing fingerprints bit-vector or vector strings data present in a column name containing Fingerprint substring, type:

To list all available information about fingerprints bit-vector or vector strings data present in a column name containing Fingerprint substring, type:

To list all available information about fingerprints bit-vector or vector strings data present in a column named Fingerprints , type:

To list bit density, average bit density, and number of on bits for fingerprints bit-vector strings data present in a column named containing Fingerprint substring, type:

To list vector values type, format and number of non-zero values for fingerprints vector strings data present in a column named containing Fingerprint substring along with fingerprints type and description, type:

AUTHOR

Manish Sud

SEE ALSO

InfoFingerprintsSDFiles.pl, SimilarityMatrixSDFiles.pl, SimilarityMatrixTextFiles.pl,  AtomNeighborhoodsFingerprints.pl, ExtendedConnectivityFingerprints.pl,  MACCSKeysFingerprints.pl, PathLengthFingerprints.pl,  TopologicalAtomPairsFingerprints.pl, TopologicalAtomTorsionsFingerprints.pl,  TopologicalPharmacophoreAtomPairsFingerprints.pl, TopologicalPharmacophoreAtomTripletsFingerprints.pl

COPYRIGHT

Copyright (C) 2004-2010 Manish Sud. All rights reserved.

This file is part of MayaChemTools.

MayaChemTools is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 3 of the License, or (at your option) any later version.