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diff bin/InfoAminoAcids.pl @ 0:4816e4a8ae95 draft default tip
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author | deepakjadmin |
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date | Wed, 20 Jan 2016 09:23:18 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/bin/InfoAminoAcids.pl Wed Jan 20 09:23:18 2016 -0500 @@ -0,0 +1,635 @@ +#!/usr/bin/perl -w +# +# $RCSfile: InfoAminoAcids.pl,v $ +# $Date: 2015/02/28 20:46:20 $ +# $Revision: 1.26 $ +# +# Author: Manish Sud <msud@san.rr.com> +# +# Copyright (C) 2015 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. +# +# MayaChemTools is distributed in the hope that it will be useful, but without +# any warranty; without even the implied warranty of merchantability of fitness +# for a particular purpose. See the GNU Lesser General Public License for more +# details. +# +# You should have received a copy of the GNU Lesser General Public License +# along with MayaChemTools; if not, see <http://www.gnu.org/licenses/> or +# write to the Free Software Foundation Inc., 59 Temple Place, Suite 330, +# Boston, MA, 02111-1307, USA. +# + +use strict; +use FindBin; use lib "$FindBin::Bin/../lib"; +use Getopt::Long; +use File::Basename; +use Text::ParseWords; +use Benchmark; +use FileUtil; +use TextUtil; +use AminoAcids; + +my($ScriptName, %Options, $StartTime, $EndTime, $TotalTime); + +# Autoflush STDOUT +$| = 1; + +# Starting message... +$ScriptName = basename($0); +print "\n$ScriptName: Starting...\n\n"; +$StartTime = new Benchmark; + +# Get the options and setup script... +SetupScriptUsage(); +if ($Options{help}) { + die GetUsageFromPod("$FindBin::Bin/$ScriptName"); +} + +print "Processing options...\n"; +my(%OptionsInfo); +ProcessOptions(); + +ListAminoAcidProperties(); +print "\n$ScriptName:Done...\n\n"; + +$EndTime = new Benchmark; +$TotalTime = timediff ($EndTime, $StartTime); +print "Total time: ", timestr($TotalTime), "\n"; + +############################################################################### + +# List data for an amino acid... +sub ListAminoAcidData { + my($DataLabelRef, $DataValueRef) = @_; + my($Index, $Line, $Value); + + if ($OptionsInfo{AminoAcidRowsOutput}) { + $Line = ''; + # Format data... + if ($OptionsInfo{OutQuote} || $Options{outdelim} !~ /^comma$/i) { + $Line = JoinWords($DataValueRef, $OptionsInfo{OutDelim}, $OptionsInfo{OutQuote}); + } + else { + # Always quote values containing commas... + $Line = ($DataValueRef->[0] =~ /\,/) ? qq("$DataValueRef->[0]") : $DataValueRef->[0]; + for $Index (1 .. $#{$DataValueRef} ) { + $Value = $DataValueRef->[$Index]; + if ($Value =~ /\,/) { + $Value = qq("$Value"); + } + $Line .= $OptionsInfo{OutDelim} . $Value; + } + } + if ($OptionsInfo{FileOutput}) { + print OUTFILE "$Line\n"; + } + else { + print "$Line\n"; + } + } + else { + # Format and list data... + $Line = ''; + for $Index (0 .. $#{$DataLabelRef} ) { + $Line = $DataLabelRef->[$Index] . ' ' . $DataValueRef->[$Index]; + if ($OptionsInfo{FileOutput}) { + print OUTFILE "$Line\n"; + } + else { + print "$Line\n"; + } + } + } +} + +# List data for an amino acid... +sub ListHeaderRowData { + my($DataLabelRef) = @_; + my($Line); + + # Format data... + $Line = JoinWords($DataLabelRef, $OptionsInfo{OutDelim}, $OptionsInfo{OutQuote}); + $Line =~ s/\://g; + # List data... + if ($OptionsInfo{FileOutput}) { + print OUTFILE "$Line\n"; + } + else { + print "$Line\n"; + } +} + +# List properties for amino acids... +sub ListAminoAcidProperties { + my($AminoAcidID, $AminoAcidDataRef, $PropertyName, $PropertyValue, @PropertyLabels, @PropertyValues); + + print "Listing information for amino acid(s)...\n"; + + if ($OptionsInfo{FileOutput}) { + print "Generating file $OptionsInfo{OutFileName}...\n"; + open OUTFILE, ">$OptionsInfo{OutFileName}" or die "Couldn't open $OptionsInfo{OutFileName}: $!\n"; + } + + # Setup property labels... + @PropertyLabels = (); + for $PropertyName (@{$OptionsInfo{SpecifiedProperies}}) { + push @PropertyLabels, ("$PropertyName:"); + } + + if ($OptionsInfo{AminoAcidRowsOutput}) { + ListHeaderRowData(\@PropertyLabels); + } + + # Go over specified properties... + for $AminoAcidID (@{$OptionsInfo{SpecifiedAminoAcidIDs}}) { + $AminoAcidDataRef = AminoAcids::GetAminoAcidPropertiesData($AminoAcidID); + + if (!$OptionsInfo{AminoAcidRowsOutput}) { + if ($OptionsInfo{FileOutput}) { + print OUTFILE "\nListing properties for amino acid $AminoAcidID...\n\n"; + } + else { + print "\nListing properties for amino acid $AminoAcidID...\n\n"; + } + } + + # Collect data.. + @PropertyValues = (); + for $PropertyName (@{$OptionsInfo{SpecifiedProperies}}) { + $PropertyValue = $AminoAcidDataRef->{$PropertyName}; + if (IsFloat($PropertyValue)) { + $PropertyValue = sprintf("%.$OptionsInfo{Precision}f", $PropertyValue) + 0; + } + push @PropertyValues, $PropertyValue; + } + # List data... + ListAminoAcidData(\@PropertyLabels, \@PropertyValues); + } + if ($OptionsInfo{FileOutput}) { + close OUTFILE; + } + print "\n"; +} + +# Get propery names from categories... +sub GetPropertyNamesFromCategories { + my($CategoryName) = @_; + my(@PropertyNames); + + @PropertyNames = (); + if ($CategoryName =~ /^Basic$/i) { + @PropertyNames = ('ThreeLetterCode', 'OneLetterCode', 'AminoAcid', 'DNACodons', 'RNACodons', 'ChemicalFormula','MolecularWeight', 'LinearStructure', 'LinearStructureAtpH7.4'); + } elsif ($CategoryName =~ /^BasicPlus$/i) { + @PropertyNames = ('ThreeLetterCode', 'OneLetterCode', 'AminoAcid', 'DNACodons', 'RNACodons', 'AcidicBasic', 'PolarNonpolar', 'Charged', 'Aromatic', 'HydrophobicHydophilic', 'IsoelectricPoint', 'pKCOOH', 'pKNH3+', 'ChemicalFormula', 'MolecularWeight', 'ExactMass', 'ChemicalFormulaMinusH2O', 'MolecularWeightMinusH2O(18.01524)', 'ExactMassMinusH2O(18.01056)','LinearStructure', 'LinearStructureAtpH7.4'); + } elsif ($CategoryName =~ /^BasicAndHydrophobicity$/i) { + @PropertyNames = ('ThreeLetterCode', 'OneLetterCode', 'AminoAcid', 'DNACodons', 'RNACodons', 'ChemicalFormula', 'MolecularWeight', 'LinearStructure', 'LinearStructureAtpH7.4', 'HydrophobicityEisenbergAndOthers', 'HydrophobicityHoppAndWoods', 'HydrophobicityJanin', 'HydrophobicityKyteAndDoolittle', 'HydrophobicityRoseAndOthers', 'HydrophobicityWolfendenAndOthers'); + } elsif ($CategoryName =~ /^BasicAndHydrophobicityPlus$/i) { + @PropertyNames = ('ThreeLetterCode', 'OneLetterCode', 'AminoAcid', 'DNACodons', 'RNACodons', 'ChemicalFormula', 'MolecularWeight', 'LinearStructure', 'LinearStructureAtpH7.4', 'HydrophobicityAbrahamAndLeo', 'HydrophobicityBlack', 'HydrophobicityBullAndBreese', 'HydrophobicityChothia', 'HydrophobicityEisenbergAndOthers', 'HydrophobicityFauchereAndOthers', 'HydrophobicityGuy', 'HydrophobicityHPLCAtpH3.4Cowan', 'HydrophobicityHPLCAtpH7.5Cowan', 'HydrophobicityHPLCParkerAndOthers', 'HydrophobicityHPLCWilsonAndOthers', 'HydrophobicityHoppAndWoods', 'HydrophobicityJanin', 'HydrophobicityKyteAndDoolittle', 'HydrophobicityManavalanAndOthers', 'HydrophobicityMiyazawaAndOthers', 'HydrophobicityOMHSweetAndOthers', 'HydrophobicityRaoAndArgos', 'HydrophobicityRfMobility', 'HydrophobicityRoseAndOthers', 'HydrophobicityRoseman', 'HydrophobicityWellingAndOthers', 'HydrophobicityWolfendenAndOthers'); + } + + return @PropertyNames; +} + +# Process option values... +sub ProcessOptions { + %OptionsInfo = (); + + $OptionsInfo{OutDelim} = ($Options{outdelim} =~ /^tab$/i ) ? "\t" : (($Options{outdelim} =~ /^semicolon$/i) ? "\;" : "\,"); + $OptionsInfo{OutQuote} = ($Options{quote} =~ /^yes$/i) ? 1 : 0; + + $OptionsInfo{Overwrite} = defined $Options{overwrite} ? $Options{overwrite} : undef; + $OptionsInfo{OutFileRoot} = defined $Options{root} ? $Options{root} : undef; + + $OptionsInfo{OutputStyle} = $Options{outputstyle}; + + $OptionsInfo{AminoAcidRowsOutput} = ($Options{outputstyle} =~ /^AminoAcidRows$/i) ? 1 : 0; + $OptionsInfo{FileOutput} = ($Options{output} =~ /^File$/i) ? 1 : 0; + + $OptionsInfo{Precision} = $Options{precision}; + + my($AminoAcidID, @AminoAcidIDs); + + @{$OptionsInfo{SpecifiedAminoAcidIDs}} = (); + + # Set up Amino Acids IDs except for All mode... + @AminoAcidIDs = (); + + if (@ARGV >= 1) { + push @AminoAcidIDs, @ARGV; + } + else { + # Setup mode specified default values... + push @AminoAcidIDs, 'Ala'; + } + + # Generate list of amino acids... + if (@ARGV == 1 && $ARGV[0] =~ /^All$/i) { + push @{$OptionsInfo{SpecifiedAminoAcidIDs}}, AminoAcids::GetAminoAcids(); + } + else { + ID: for $AminoAcidID (@AminoAcidIDs) { + if (AminoAcids::IsAminoAcid($AminoAcidID)) { + push @{$OptionsInfo{SpecifiedAminoAcidIDs}}, $AminoAcidID; + } + else { + warn "Ignoring amino acid ID, $AminoAcidID, specified using command line parameter option: Unknown amino acid ID...\n"; + next ID; + } + } + } + SetupSpecifiedProperties(); + + # Setup output file name... + $OptionsInfo{OutFileName} = ''; + if ($OptionsInfo{FileOutput}) { + my($OutFileRoot, $OutFileExt); + + $OutFileRoot = ''; + $OutFileExt = "csv"; + if ($Options{outdelim} =~ /^tab$/i) { + $OutFileExt = "tsv"; + } + if ($Options{root}) { + my ($RootFileDir, $RootFileName, $RootFileExt) = ParseFileName($Options{root}); + if ($RootFileName && $RootFileExt) { + $OutFileRoot = $RootFileName; + } + else { + $OutFileRoot = $Options{root}; + } + } + else { + $OutFileRoot = 'AminoAcidsInfo'; + } + $OptionsInfo{OutFileName} = $OutFileRoot . '.' . $OutFileExt; + if (!$Options{overwrite}) { + if (-e $OptionsInfo{OutFileName}) { + die "Error: Output file, $OptionsInfo{OutFileName}, already exists.\nUse \-o --overwrite\ option or specify a different name using \"-r --root\" option.\n"; + } + } + } +} + +# Setup properties to list... +sub SetupSpecifiedProperties { + + $OptionsInfo{Properties} = defined $Options{properties} ? $Options{properties} : undef; + + $OptionsInfo{PropertiesMode} = $Options{propertiesmode}; + $OptionsInfo{PropertiesListing} = $Options{propertieslisting}; + + # Make sure appropriate properties/category names are specified... + @{$OptionsInfo{SpecifiedProperies}} = (); + if ($Options{properties} && ($Options{propertiesmode} =~ /^All$/i) ) { + warn "Warning: Ignoring values specifed by \"-p --properties\" option: Not valid for All value of \"--propertiesmode\" option...\n"; + } + if ($Options{propertiesmode} =~ /^All$/i) { + if ($Options{propertieslisting} =~ /^Alphabetical$/i) { + push @{$OptionsInfo{SpecifiedProperies}}, AminoAcids::GetAminoAcidPropertiesNames('Alphabetical'); + } + else { + push @{$OptionsInfo{SpecifiedProperies}}, AminoAcids::GetAminoAcidPropertiesNames(); + } + } + else { + if ($Options{properties}) { + if ($Options{propertiesmode} =~ /^Categories$/i) { + # Check category name... + if ($Options{properties} !~ /^(Basic|BasicPlus|BasicAndHydrophobicity|BasicAndHydrophobicityPlus)$/i) { + die "Error: The value specified, $Options{properties}, for option \"-p --properties\" in conjunction with \"Categories\" value for option \"--propertiesmode\" is not valid. Allowed values: Basic, BasicPlus, BasicAndHydrophobicity, and BasicAndHydrophobicityPlus\n"; + } + # Set propertynames... + push @{$OptionsInfo{SpecifiedProperies}}, GetPropertyNamesFromCategories($Options{properties}); + } + else { + # Check property names.. + my($Name, $PropertyName, @Names); + @Names = split /\,/, $Options{properties}; + NAME: for $Name (@Names) { + $PropertyName = RemoveLeadingAndTrailingWhiteSpaces($Name); + if (AminoAcids::IsAminoAcidProperty($PropertyName)) { + push @{$OptionsInfo{SpecifiedProperies}}, $PropertyName; + } + else { + warn "Warning: Ignoring value, $Name, specifed by \"-p --properties\" option: Unknown property name...\n"; + } + } + if ($Options{propertieslisting} =~ /^Alphabetical$/i) { + # ThreeLetterCode, OneLetterCode and AminoAcid are always listed first... + # NaturalIsotopeData in the end... + my($OneLetterCodePresent, $ThreeLetterCodePresent, $AminoAcidPresent, @AlphabeticalProperties, %PropertiesMap); + %PropertiesMap = (); + @AlphabeticalProperties = (); + $OneLetterCodePresent = 0; $ThreeLetterCodePresent = 0; $AminoAcidPresent = 0; + NAME: for $Name (@{$OptionsInfo{SpecifiedProperies}}) { + if ($Name =~ /^OneLetterCode$/i) { + $OneLetterCodePresent = 1; + next NAME; + } + if ($Name =~ /^ThreeLetterCode$/i) { + $ThreeLetterCodePresent = 1; + next NAME; + } + if ($Name =~ /^AminoAcid$/i) { + $AminoAcidPresent = 1; + next NAME; + } + $PropertiesMap{$Name} = $Name; + } + # Setup the alphabetical list... + if ($ThreeLetterCodePresent) { + push @AlphabeticalProperties, 'ThreeLetterCode'; + } + if ($OneLetterCodePresent) { + push @AlphabeticalProperties, 'OneLetterCode'; + } + if ($AminoAcidPresent) { + push @AlphabeticalProperties, 'AminoAcid'; + } + for $Name (sort keys %PropertiesMap) { + push @AlphabeticalProperties, $Name; + } + @{$OptionsInfo{SpecifiedProperies}} = (); + push @{$OptionsInfo{SpecifiedProperies}}, @AlphabeticalProperties; + } + } + } + else { + # Set default value... + push @{$OptionsInfo{SpecifiedProperies}}, GetPropertyNamesFromCategories('Basic'); + } + } +} + +# Setup script usage and retrieve command line arguments specified using various options... +sub SetupScriptUsage { + + # Retrieve all the options... + %Options = (); + $Options{outdelim} = "comma"; + $Options{output} = "STDOUT"; + $Options{outputstyle} = "AminoAcidBlock"; + $Options{precision} = 4; + $Options{propertiesmode} = "Categories"; + $Options{propertieslisting} = "ByGroup"; + $Options{quote} = "yes"; + + if (!GetOptions(\%Options, "help|h", "outdelim=s", "output=s", "outputstyle=s", "overwrite|o", "precision=i", "properties|p=s", "propertieslisting=s", "propertiesmode=s", "quote|q=s", "root|r=s", "workingdir|w=s")) { + die "\nTo get a list of valid options and their values, use \"$ScriptName -h\" or\n\"perl -S $ScriptName -h\" command and try again...\n"; + } + if ($Options{workingdir}) { + if (! -d $Options{workingdir}) { + die "Error: The value specified, $Options{workingdir}, for option \"-w --workingdir\" is not a directory name.\n"; + } + chdir $Options{workingdir} or die "Error: Couldn't chdir $Options{workingdir}: $! \n"; + } + if ($Options{outdelim} !~ /^(comma|semicolon|tab)$/i) { + die "Error: The value specified, $Options{outdelim}, for option \"--outdelim\" is not valid. Allowed values: comma, tab, or semicolon\n"; + } + if ($Options{output} !~ /^(STDOUT|File)$/i) { + die "Error: The value specified, $Options{output}, for option \"--output\" is not valid. Allowed values: STDOUT or File\n"; + } + if ($Options{outputstyle} !~ /^(AminoAcidBlock|AminoAcidRows)$/i) { + die "Error: The value specified, $Options{outputstyle}, for option \"--outputstyle\" is not valid. Allowed values: AminoAcidBlock or AminoAcidRows\n"; + } + if (!IsPositiveInteger($Options{precision})) { + die "Error: The value specified, $Options{precision}, for option \"-p --precision\" is not valid. Allowed values: > 0 \n"; + } + if ($Options{propertiesmode} !~ /^(Categories|Names|All)$/i) { + die "Error: The value specified, $Options{propertiesmode}, for option \"--propertiesmode\" is not valid. Allowed values: Categories, Names, or All\n"; + } + if ($Options{propertieslisting} !~ /^(ByGroup|Alphabetical)$/i) { + die "Error: The value specified, $Options{propertieslisting}, for option \"--propertieslisting\" is not valid. Allowed values: ByGroup, or Alphabetical\n"; + } + if ($Options{quote} !~ /^(yes|no)$/i) { + die "Error: The value specified, $Options{quote}, for option \"-q --quote\" is not valid. Allowed values: yes or no\n"; + } +} + +__END__ + +=head1 NAME + +InfoAminoAcids.pl - List properties of amino acids + +=head1 SYNOPSIS + +InfoAminoAcids.pl AminoAcidIDs... + +InfoAminoAcids.pl [B<-h, --help>] [B<--outdelim> comma | tab | semicolon] +[B<--output> STDOUT | File] [B<--outputstyle> AminoAcidBlock | AminoAcidRows] +[B<-o, --overwrite>] [B<--precision> number] [B<--propertiesmode> Categories | Names | All] +[B<-p, --properties> CategoryName,[CategoryName,...] | PropertyName,[PropertyName,...]] +[B<--propertieslinting> ByGroup | Alphabetical] [B<-q, --quote> yes | no] [B<-r, --root> rootname] +[B<-w, --workingdir> dirname] AminoAcidIDs... + +=head1 DESCRIPTION + +List amino acid properties. Amino acids identification supports these three types of IDs: one letter +code, three letter code or name. Amino acid properties data, in addition to basic information about +amino acids - one and three letter codes, name, DNA and RNA codons, molecular weight - include +variety of other properties: polarity, acidity, hydrophobicity, and so on. + +=head1 PARAMETERS + +=over 4 + +=item B<AminoAcidIDs> I<ThreeLetterCode [OneLetterCode AminoAcidName...]> + +I<AminoAcidIDs> is a space delimited list of values to identify amino acids. + +Input value format is: I<ThreeLetterCode [OneLetterCode AminoAcidName...]>. Default: I<Ala>. +Examples: + + Ala + Glu A + Alanine Glu Y "Aspartic acid" + +=back + +=head1 OPTIONS + +=over 4 + +=item B<-h, --help> + +Print this help message. + +=item B<--outdelim> I<comma | tab | semicolon> + +Output text file delimiter. Possible values: I<comma, tab, or semicolon> +Default value: I<comma>. + +=item B<--output> I<STDOUT | File> + +List information at STDOUT or write it to a file. Possible values: I<STDOUT or File>. Default: +I<STDOUT>. B<-r, --root> option is used to generate output file name. + +=item B<--outputstyle> I<AminoAcidBlock | AminoAcidRows> + +Specify how to list amino acid information: add a new line for each property and present it as a block +for each amino acid; or include all properties in one line and show it as a single line. + +Possible values: I<AminoAcidBlock | AminoAcidRows>. Default: I<AminoAcidBlock> + +An example for I<AminoAcidBlock> output style: + + ThreeLetterCode: Ala + OneLetterCode: A + AminoAcid: Alanine + MolecularWeight: 89.0941 + ... ... + ... ... + ... ... + + ThreeLetterCode: Glu + OneLetterCode: E + AminoAcid: Glutamic acid + MolecularWeight: 147.1308 + ... ... + ... ... + ... ... + +An example for I<AminoAcidRows> output style: + + ThreeLetterCode,OneLetterCode,AminoAcid,MolecularWeight + Ala,A,Alanine,89.0941.. + Glu,E,Glutamic acid,147.1308.. + +=item B<-o, --overwrite> + +Overwrite existing files. + +=item B<--precision> I<number> + +Precision for listing numerical values. Default: up to I<4> decimal places. +Valid values: positive integers. + +=item B<--propertiesmode> I<Categories | Names | All> + +Specify how property names are specified: use category names; explicit list of property names; or +use all available properties. Possible values: I<Categories, Names, or All>. Default: I<Categories>. + +This option is used in conjunction with B<-p, --properties> option to specify properties of +interest. + +=item B<-p, --properties> I<CategoryName,[CategoryName,...] | PropertyName,[PropertyName,...]> + +This option is B<--propertiesmode> specific. In general, it's a list of comma separated category or +property names. + +Specify which amino acid properties information to list for the amino acid IDs specified using command: +line parameters: list basic and/or hydrophobicity information; list all available information; or specify a comma +separated list of amino acid property names. + +Possible values: I<Basic | BasicPlus | BasicAndHydrophobicity | BasicAndHydrophobicityPlus | PropertyName,[PropertyName,...]>. +Default: I<Basic>. + +I<Basic> includes: I<ThreeLetterCode, OneLetterCode, AminoAcid, DNACodons, RNACodons, ChemicalFormula, MolecularWeight, LinearStructure, LinearStructureAtpH7.4> + +I<BasicPlus> includes: I<ThreeLetterCode, OneLetterCode, AminoAcid, DNACodons, RNACodons, AcidicBasic, PolarNonpolar, Charged, Aromatic, HydrophobicHydophilic, IsoelectricPoint, pKCOOH, pKNH3+, ChemicalFormula, MolecularWeight, ExactMass, ChemicalFormulaMinusH2O, MolecularWeightMinusH2O(18.01524), ExactMassMinusH2O(18.01056), LinearStructure, LinearStructureAtpH7.4> + +I<BasicAndHydrophobicity> includes: I<ThreeLetterCode, OneLetterCode, AminoAcid, DNACodons, RNACodons, ChemicalFormula, MolecularWeight, LinearStructure, LinearStructureAtpH7.4, HydrophobicityEisenbergAndOthers, HydrophobicityHoppAndWoods, HydrophobicityJanin, HydrophobicityKyteAndDoolittle, HydrophobicityRoseAndOthers, HydrophobicityWolfendenAndOthers> + +I<BasicAndHydrophobicityPlus> includes: I<(ThreeLetterCode, OneLetterCode, AminoAcid, DNACodons, RNACodons, ChemicalFormula, MolecularWeight, LinearStructure, LinearStructureAtpH7.4, HydrophobicityAbrahamAndLeo, HydrophobicityBlack, HydrophobicityBullAndBreese, HydrophobicityChothia, HydrophobicityEisenbergAndOthers, HydrophobicityFauchereAndOthers, HydrophobicityGuy, HydrophobicityHPLCAtpH3.4Cowan, HydrophobicityHPLCAtpH7.5Cowan, HydrophobicityHPLCParkerAndOthers, HydrophobicityHPLCWilsonAndOthers, HydrophobicityHoppAndWoods, HydrophobicityJanin, HydrophobicityKyteAndDoolittle, HydrophobicityManavalanAndOthers, HydrophobicityMiyazawaAndOthers, HydrophobicityOMHSweetAndOthers, HydrophobicityRaoAndArgos, HydrophobicityRfMobility, HydrophobicityRoseAndOthers, HydrophobicityRoseman, HydrophobicityWellingAndOthers, HydrophobicityWolfendenAndOthers> + +Here is a complete list of available properties: ThreeLetterCode, OneLetterCode, AminoAcid, DNACodons, RNACodons, AcidicBasic, PolarNonpolar, Charged, Aromatic, HydrophobicHydophilic, IsoelectricPoint, pKCOOH, pKNH3+, ChemicalFormula, MolecularWeight, ExactMass, ChemicalFormulaMinusH2O, MolecularWeightMinusH2O(18.01524), ExactMassMinusH2O(18.01056), vanderWaalsVolume, %AccessibleResidues, %BuriedResidues, AlphaHelixChouAndFasman, AlphaHelixDeleageAndRoux, AlphaHelixLevitt, AminoAcidsComposition, AminoAcidsCompositionInSwissProt, AntiparallelBetaStrand, AverageAreaBuried, AverageFlexibility, BetaSheetChouAndFasman, BetaSheetDeleageAndRoux, BetaSheetLevitt, BetaTurnChouAndFasman, BetaTurnDeleageAndRoux, BetaTurnLevitt, Bulkiness, CoilDeleageAndRoux, HPLCHFBARetention, HPLCRetentionAtpH2.1, HPLCRetentionAtpH7.4, HPLCTFARetention, HydrophobicityAbrahamAndLeo, HydrophobicityBlack, HydrophobicityBullAndBreese, HydrophobicityChothia, HydrophobicityEisenbergAndOthers, HydrophobicityFauchereAndOthers, HydrophobicityGuy, HydrophobicityHPLCAtpH3.4Cowan, HydrophobicityHPLCAtpH7.5Cowan, HydrophobicityHPLCParkerAndOthers, HydrophobicityHPLCWilsonAndOthers, HydrophobicityHoppAndWoods, HydrophobicityJanin, HydrophobicityKyteAndDoolittle, HydrophobicityManavalanAndOthers, HydrophobicityMiyazawaAndOthers, HydrophobicityOMHSweetAndOthers, HydrophobicityRaoAndArgos, HydrophobicityRfMobility, HydrophobicityRoseAndOthers, HydrophobicityRoseman, HydrophobicityWellingAndOthers, HydrophobicityWolfendenAndOthers, ParallelBetaStrand, PolarityGrantham, PolarityZimmerman, RatioHeteroEndToSide, RecognitionFactors, Refractivity, RelativeMutability, TotalBetaStrand, LinearStructure, LinearStructureAtpH7.4 + +=item B<--propertieslisting> I<ByGroup | Alphabetical> + +Specify how to list properties for amino acids: group by category or an alphabetical by +property names. Possible values: I<ByGroup or Alphabetical>. Default: I<ByGroup>. + +=item B<-q, --quote> I<yes | no> + +Put quotes around column values in output text file. Possible values: I<yes or +no>. Default value: I<yes>. + +=item B<-r, --root> I<rootname> + +New text file name is generated using the root: <Root>.<Ext>. File name is only +used during I<File> value of B<-o, --output> option. + +Default file name: AminoAcidInfo<mode>.<Ext>. The csv, and tsv +<Ext> values are used for comma/semicolon, and tab delimited text files respectively. + +=item B<-w, --workingdir> I<dirname> + +Location of working directory. Default: current directory. + +=back + +=head1 EXAMPLES + +To list basic properties information for amino acid Ala, type: + + % InfoAminoAcids.pl + +To list all available properties information for amino acid Ala, type: + + % InfoAminoAcids.pl --propertiesmode all + +To list basic properties information for amino acids Ala, Arg, and Asp type: + + % InfoAminoAcids.pl Ala Arg Asp + % InfoAminoAcids.pl A Arg "Aspartic acid" + +To list all available properties information for amino acids Ala, Arg, and Asp type: + + % InfoAminoAcids.pl --propertiesmode all Ala Arg Asp + +To list basic and hydrophobicty properties information for amino acids Ala, Arg, and Asp type: + + % InfoAminoAcids.pl --propertiesmode Categories + --properties BasicAndHydrophobicity Ala Arg Asp + +To list OneLetterCode, ThreeLetterCode, DNACodons, and MolecularWeight for amino +acids Ala, Arg, and Asp type: + + % InfoAminoAcids.pl --propertiesmode Names + --properties OneLetterCode,ThreeLetterCode,DNACodons,MolecularWeight + Ala Arg Asp + +To alphabetically list basic and hydrophobicty properties information for amino acids Ala, Arg, and Asp +in rows insetad of amino acid blocks with quotes around the values, type: + + % InfoAminoAcids.pl --propertiesmode Categories + --properties BasicAndHydrophobicity --propertieslisting alphabetical + --outdelim comma --outputstyle AminoAcidRows --quote yes Ala Arg Asp + +To alphabetically list basic and hydrophobicty properties information for amino acids Ala, Arg, and Asp +in rows insetad of amino acid blocks with quotes around the values and write them into a file +AminoAcidProperties.csv, type: + + % InfoAminoAcids.pl --propertiesmode Categories + --properties BasicAndHydrophobicity --propertieslisting alphabetical + --outdelim comma --outputstyle AminoAcidRows --quote yes + --output File -r AminoAcidProperties -o Ala Arg Asp + +=head1 AUTHOR + +Manish Sud <msud@san.rr.com> + +=head1 SEE ALSO + +InfoNucleicAcids.pl InfoPeriodicTableElements.pl + +=head1 COPYRIGHT + +Copyright (C) 2015 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. + +=cut