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   1 #!/usr/bin/perl -w
   2 <span class="c">#</span>
   3 <span class="c"># $RCSfile: AnalyzeSequenceFilesData.pl,v $</span>
   4 <span class="c"># $Date: 2015/02/28 20:46:04 $</span>
   5 <span class="c"># $Revision: 1.33 $</span>
   6 <span class="c">#</span>
   7 <span class="c"># Author: Manish Sud &lt;msud@san.rr.com&gt;</span>
   8 <span class="c">#</span>
   9 <span class="c"># Copyright (C) 2015 Manish Sud. All rights reserved.</span>
  10 <span class="c">#</span>
  11 <span class="c"># This file is part of MayaChemTools.</span>
  12 <span class="c">#</span>
  13 <span class="c"># MayaChemTools is free software; you can redistribute it and/or modify it under</span>
  14 <span class="c"># the terms of the GNU Lesser General Public License as published by the Free</span>
  15 <span class="c"># Software Foundation; either version 3 of the License, or (at your option) any</span>
  16 <span class="c"># later version.</span>
  17 <span class="c">#</span>
  18 <span class="c"># MayaChemTools is distributed in the hope that it will be useful, but without</span>
  19 <span class="c"># any warranty; without even the implied warranty of merchantability of fitness</span>
  20 <span class="c"># for a particular purpose.  See the GNU Lesser General Public License for more</span>
  21 <span class="c"># details.</span>
  22 <span class="c">#</span>
  23 <span class="c"># You should have received a copy of the GNU Lesser General Public License</span>
  24 <span class="c"># along with MayaChemTools; if not, see &lt;http://www.gnu.org/licenses/&gt; or</span>
  25 <span class="c"># write to the Free Software Foundation Inc., 59 Temple Place, Suite 330,</span>
  26 <span class="c"># Boston, MA, 02111-1307, USA.</span>
  27 <span class="c">#</span>
  28 
  29 <span class="k">use</span> <span class="w">strict</span><span class="sc">;</span>
  30 <span class="k">use</span> <span class="w">FindBin</span><span class="sc">;</span> <span class="k">use</span> <span class="w">lib</span> <span class="q">&quot;$FindBin::Bin/../lib&quot;</span><span class="sc">;</span>
  31 <span class="k">use</span> <span class="w">Getopt::Long</span><span class="sc">;</span>
  32 <span class="k">use</span> <span class="w">File::Basename</span><span class="sc">;</span>
  33 <span class="k">use</span> <span class="w">Text::ParseWords</span><span class="sc">;</span>
  34 <span class="k">use</span> <span class="w">Benchmark</span><span class="sc">;</span>
  35 <span class="k">use</span> <span class="w">FileUtil</span><span class="sc">;</span>
  36 <span class="k">use</span> <span class="w">TextUtil</span><span class="sc">;</span>
  37 <span class="k">use</span> <span class="w">SequenceFileUtil</span><span class="sc">;</span>
  38 <span class="k">use</span> <span class="w">AminoAcids</span><span class="sc">;</span>
  39 <span class="k">use</span> <span class="w">NucleicAcids</span><span class="sc">;</span>
  40 
  41 <span class="k">my</span><span class="s">(</span><span class="i">$ScriptName</span><span class="cm">,</span> <span class="i">%Options</span><span class="cm">,</span> <span class="i">$StartTime</span><span class="cm">,</span> <span class="i">$EndTime</span><span class="cm">,</span> <span class="i">$TotalTime</span><span class="s">)</span><span class="sc">;</span>
  42 
  43 <span class="c"># Autoflush STDOUT</span>
  44 <span class="i">$|</span> = <span class="n">1</span><span class="sc">;</span>
  45 
  46 <span class="c"># Starting message...</span>
  47 <span class="i">$ScriptName</span> = <span class="i">basename</span><span class="s">(</span><span class="i">$0</span><span class="s">)</span><span class="sc">;</span>
  48 <span class="k">print</span> <span class="q">&quot;\n$ScriptName: Starting...\n\n&quot;</span><span class="sc">;</span>
  49 <span class="i">$StartTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span>
  50 
  51 <span class="c"># Setup script usage message...</span>
  52 <span class="i">SetupScriptUsage</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
  53 <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">help</span>} || <span class="i">@ARGV</span> &lt; <span class="n">1</span><span class="s">)</span> <span class="s">{</span>
  54   <span class="k">die</span> <span class="i">GetUsageFromPod</span><span class="s">(</span><span class="q">&quot;$FindBin::Bin/$ScriptName&quot;</span><span class="s">)</span><span class="sc">;</span>
  55 <span class="s">}</span>
  56 
  57 <span class="c"># Expand wild card file names...</span>
  58 <span class="k">my</span><span class="s">(</span><span class="i">@SequenceFilesList</span><span class="s">)</span><span class="sc">;</span>
  59 <span class="i">@SequenceFilesList</span> = <span class="i">ExpandFileNames</span><span class="s">(</span>\<span class="i">@ARGV</span><span class="cm">,</span> <span class="q">&quot;aln msf fasta fta pir&quot;</span><span class="s">)</span><span class="sc">;</span>
  60 
  61 <span class="k">print</span> <span class="q">&quot;Processing options...\n&quot;</span><span class="sc">;</span>
  62 <span class="k">my</span><span class="s">(</span><span class="i">%OptionsInfo</span><span class="s">)</span><span class="sc">;</span>
  63 <span class="i">ProcessOptions</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
  64 
  65 <span class="c"># Set up information about input files...</span>
  66 <span class="k">print</span> <span class="q">&quot;Checking input sequence file(s)...\n&quot;</span><span class="sc">;</span>
  67 <span class="k">my</span><span class="s">(</span><span class="i">%SequenceFilesInfo</span><span class="s">)</span><span class="sc">;</span>
  68 <span class="i">RetrieveSequenceFilesInfo</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
  69 <span class="i">SetupSequenceRegionsData</span><span class="s">(</span><span class="s">)</span><span class="sc">;</span>
  70 
  71 <span class="c"># Process input files..</span>
  72 <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span>
  73 <span class="k">if</span> <span class="s">(</span><span class="i">@SequenceFilesList</span> &gt; <span class="n">1</span><span class="s">)</span> <span class="s">{</span>
  74   <span class="k">print</span> <span class="q">&quot;\nProcessing sequence files...\n&quot;</span><span class="sc">;</span>
  75 <span class="s">}</span>
  76 <span class="k">for</span> <span class="i">$FileIndex</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SequenceFilesList</span><span class="s">)</span> <span class="s">{</span>
  77   <span class="k">if</span> <span class="s">(</span><span class="i">$SequenceFilesInfo</span>{<span class="w">FilesOkay</span>}[<span class="i">$FileIndex</span>]<span class="s">)</span> <span class="s">{</span>
  78     <span class="k">print</span> <span class="q">&quot;\nProcessing file $SequenceFilesList[$FileIndex]...\n&quot;</span><span class="sc">;</span>
  79     <span class="i">AnalyzeSequenceFileData</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span><span class="sc">;</span>
  80   <span class="s">}</span>
  81 <span class="s">}</span>
  82 <span class="k">print</span> <span class="q">&quot;\n$ScriptName:Done...\n\n&quot;</span><span class="sc">;</span>
  83 
  84 <span class="i">$EndTime</span> = <span class="w">new</span> <span class="w">Benchmark</span><span class="sc">;</span>
  85 <span class="i">$TotalTime</span> = <span class="w">timediff</span> <span class="s">(</span><span class="i">$EndTime</span><span class="cm">,</span> <span class="i">$StartTime</span><span class="s">)</span><span class="sc">;</span>
  86 <span class="k">print</span> <span class="q">&quot;Total time: &quot;</span><span class="cm">,</span> <span class="i">timestr</span><span class="s">(</span><span class="i">$TotalTime</span><span class="s">)</span><span class="cm">,</span> <span class="q">&quot;\n&quot;</span><span class="sc">;</span>
  87 
  88 <span class="c">###############################################################################</span>
  89 
  90 <span class="c"># Analyze sequence file...</span>
<a name="AnalyzeSequenceFileData-"></a>  91 <span class="k">sub </span><span class="m">AnalyzeSequenceFileData</span> <span class="s">{</span>
  92   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
  93   <span class="k">my</span><span class="s">(</span><span class="i">$SequenceFile</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span><span class="sc">;</span>
  94 
  95   <span class="i">$SequenceFile</span> = <span class="i">$SequenceFilesList</span>[<span class="i">$FileIndex</span>]<span class="sc">;</span>
  96 
  97   <span class="k">open</span> <span class="w">SEQUENCEFILE</span><span class="cm">,</span> <span class="q">&quot;$SequenceFile&quot;</span> <span class="k">or</span> <span class="k">die</span> <span class="q">&quot;Error: Can&#39;t open $SequenceFile: $! \n&quot;</span><span class="sc">;</span>
  98   <span class="i">$SequenceDataRef</span> = <span class="i">ReadSequenceFile</span><span class="s">(</span><span class="i">$SequenceFile</span><span class="s">)</span><span class="sc">;</span>
  99   <span class="k">close</span> <span class="w">SEQUENCEFILE</span><span class="sc">;</span>
 100 
 101   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CalculatePercentIdentityMatrix</span>}<span class="s">)</span> <span class="s">{</span>
 102     <span class="i">CalculatePercentIdentityMatrix</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span><span class="sc">;</span>
 103   <span class="s">}</span>
 104   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">PerformResidueFrequencyAnalysis</span>}<span class="s">)</span> <span class="s">{</span>
 105     <span class="i">PerformResidueFrequencyAnalysis</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span><span class="sc">;</span>
 106   <span class="s">}</span>
 107 <span class="s">}</span>
 108 
 109 <span class="c"># Calculate percent identity matrix...</span>
<a name="CalculatePercentIdentityMatrix-"></a> 110 <span class="k">sub </span><span class="m">CalculatePercentIdentityMatrix</span> <span class="s">{</span>
 111   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 112   <span class="k">my</span><span class="s">(</span><span class="i">$PercentIdentity</span><span class="cm">,</span> <span class="i">$PercentIdentityMatrixFile</span><span class="cm">,</span> <span class="i">$PercentIdentityMatrixRef</span><span class="cm">,</span> <span class="i">$RowID</span><span class="cm">,</span> <span class="i">$ColID</span><span class="cm">,</span> <span class="i">$Line</span><span class="cm">,</span> <span class="i">@LineWords</span><span class="s">)</span><span class="sc">;</span>
 113 
 114   <span class="i">$PercentIdentityMatrixFile</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileRoot</span>}[<span class="i">$FileIndex</span>] . <span class="q">&#39;PercentIdentityMatrix.&#39;</span> . <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileExt</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span>
 115   <span class="i">$PercentIdentityMatrixRef</span> = <span class="i">CalculatePercentSequenceIdentityMatrix</span><span class="s">(</span><span class="i">$SequenceDataRef</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">Precision</span>}<span class="s">)</span><span class="sc">;</span>
 116 
 117   <span class="k">print</span> <span class="q">&quot;Generating percent identity matrix file $PercentIdentityMatrixFile...\n&quot;</span><span class="sc">;</span>
 118   <span class="k">open</span> <span class="w">OUTFILE</span><span class="cm">,</span> <span class="q">&quot;&gt;$PercentIdentityMatrixFile&quot;</span> <span class="k">or</span> <span class="k">die</span> <span class="q">&quot;Can&#39;t open $PercentIdentityMatrixFile: $!\n&quot;</span><span class="sc">;</span>
 119 
 120   <span class="c"># Write out column labels...</span>
 121   <span class="i">@LineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 122   <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="q">&#39;&#39;</span><span class="sc">;</span>
 123   <span class="k">for</span> <span class="i">$ColID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$PercentIdentityMatrixRef</span>-&gt;{<span class="w">IDs</span>}}<span class="s">)</span> <span class="s">{</span>
 124     <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$ColID</span><span class="sc">;</span>
 125   <span class="s">}</span>
 126   <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
 127   <span class="k">print</span> <span class="i">OUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 128 
 129   <span class="c"># Write out rows...</span>
 130   <span class="k">for</span> <span class="i">$RowID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$PercentIdentityMatrixRef</span>-&gt;{<span class="w">IDs</span>}}<span class="s">)</span> <span class="s">{</span>
 131     <span class="i">@LineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 132     <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$RowID</span><span class="sc">;</span>
 133     <span class="k">for</span> <span class="i">$ColID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$PercentIdentityMatrixRef</span>-&gt;{<span class="w">IDs</span>}}<span class="s">)</span> <span class="s">{</span>
 134       <span class="i">$PercentIdentity</span> = <span class="i">$PercentIdentityMatrixRef</span>-&gt;{<span class="w">PercentIdentity</span>}{<span class="i">$RowID</span>}{<span class="i">$ColID</span>}<span class="sc">;</span>
 135       <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$PercentIdentity</span><span class="sc">;</span>
 136     <span class="s">}</span>
 137     <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
 138     <span class="k">print</span> <span class="i">OUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 139   <span class="s">}</span>
 140   <span class="k">close</span> <span class="w">OUTFILE</span><span class="sc">;</span>
 141 <span class="s">}</span>
 142 
 143 <span class="c"># Perform frequency analysis...</span>
<a name="PerformResidueFrequencyAnalysis-"></a> 144 <span class="k">sub </span><span class="m">PerformResidueFrequencyAnalysis</span> <span class="s">{</span>
 145   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 146 
 147   <span class="i">CountResiduesInRegions</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span><span class="sc">;</span>
 148   <span class="i">CalculatePercentResidueFrequencyInRegions</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span><span class="sc">;</span>
 149   <span class="i">GeneratePercentResidueFrequencyOutFilesForRegions</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span><span class="sc">;</span>
 150 <span class="s">}</span>
 151 
 152 <span class="c"># Count residues...</span>
<a name="CountResiduesInRegions-"></a> 153 <span class="k">sub </span><span class="m">CountResiduesInRegions</span> <span class="s">{</span>
 154   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 155 
 156   <span class="c"># Setup rerfernce sequence data...</span>
 157   <span class="k">my</span><span class="s">(</span><span class="i">$RefereceSequenceID</span><span class="cm">,</span> <span class="i">$RefereceSequence</span><span class="s">)</span><span class="sc">;</span>
 158   <span class="i">$RefereceSequenceID</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceID</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span>
 159   <span class="i">$RefereceSequence</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequence</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span>
 160 
 161   <span class="c"># Count residues...</span>
 162   <span class="k">my</span><span class="s">(</span><span class="i">$RegionID</span><span class="cm">,</span> <span class="i">$StartResNum</span><span class="cm">,</span> <span class="i">$EndResNum</span><span class="cm">,</span> <span class="i">$ResNum</span><span class="cm">,</span> <span class="i">$ResIndex</span><span class="cm">,</span> <span class="i">$ID</span><span class="cm">,</span> <span class="i">$Sequence</span><span class="cm">,</span> <span class="i">$Residue</span><span class="s">)</span><span class="sc">;</span>
 163   <span class="k">for</span> <span class="i">$RegionID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="w">RegionIDs</span>}}<span class="s">)</span> <span class="s">{</span>
 164     <span class="i">$StartResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">StartResNum</span>}<span class="sc">;</span>
 165     <span class="i">$EndResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">EndResNum</span>}<span class="sc">;</span>
 166     <span class="j">RESNUM:</span> <span class="k">for</span> <span class="i">$ResNum</span> <span class="s">(</span><span class="i">$StartResNum</span> .. <span class="i">$EndResNum</span><span class="s">)</span> <span class="s">{</span>
 167       <span class="i">$ResIndex</span> = <span class="i">$ResNum</span> - <span class="n">1</span><span class="sc">;</span>
 168       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>} &amp;&amp; <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$FileIndex</span>]{<span class="w">IsGap</span>}{<span class="i">$ResNum</span>}<span class="s">)</span> <span class="s">{</span>
 169         <span class="k">next</span> <span class="j">RESNUM</span><span class="sc">;</span>
 170       <span class="s">}</span>
 171       <span class="c"># Go over residues in column $ResNum in all the sequences...</span>
 172       <span class="j">ID:</span> <span class="k">for</span> <span class="i">$ID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SequenceDataRef</span>-&gt;{<span class="w">IDs</span>}}<span class="s">)</span> <span class="s">{</span>
 173         <span class="i">$Sequence</span> = <span class="i">$SequenceDataRef</span>-&gt;{<span class="w">Sequence</span>}{<span class="i">$ID</span>}<span class="sc">;</span>
 174         <span class="i">$Residue</span> = <span class="k">substr</span><span class="s">(</span><span class="i">$Sequence</span><span class="cm">,</span> <span class="i">$ResIndex</span><span class="cm">,</span> <span class="n">1</span><span class="s">)</span><span class="sc">;</span>
 175         <span class="k">if</span> <span class="s">(</span><span class="i">IsGapResidue</span><span class="s">(</span><span class="i">$Residue</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 176           <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}{<span class="w">Gap</span>} += <span class="n">1</span><span class="sc">;</span>
 177         <span class="s">}</span>
 178         <span class="k">else</span> <span class="s">{</span>
 179           <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>}<span class="s">)</span> <span class="s">{</span>
 180             <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>} += <span class="n">1</span><span class="sc">;</span>
 181           <span class="s">}</span>
 182           <span class="k">else</span> <span class="s">{</span>
 183             <span class="c"># Internal error...</span>
 184             <span class="k">print</span> <span class="q">&quot;Warning: Ignoring residue $Residue in sequence $ID during ResidueFrequencyAnalysis calculation: Unknown residue...\n&quot;</span><span class="sc">;</span>
 185           <span class="s">}</span>
 186         <span class="s">}</span>
 187       <span class="s">}</span>
 188     <span class="s">}</span>
 189   <span class="s">}</span>
 190 <span class="s">}</span>
 191 
 192 <span class="c"># Calculate percent frequency for various residues in the sequence regions...</span>
<a name="CalculatePercentResidueFrequencyInRegions-"></a> 193 <span class="k">sub </span><span class="m">CalculatePercentResidueFrequencyInRegions</span> <span class="s">{</span>
 194   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 195   <span class="k">my</span><span class="s">(</span><span class="i">$RegionID</span><span class="cm">,</span> <span class="i">$StartResNum</span><span class="cm">,</span> <span class="i">$EndResNum</span><span class="cm">,</span> <span class="i">$ResNum</span><span class="cm">,</span> <span class="i">$Residue</span><span class="cm">,</span> <span class="i">$Count</span><span class="cm">,</span> <span class="i">$PercentCount</span><span class="cm">,</span> <span class="i">$MaxResiduesCount</span><span class="cm">,</span> <span class="i">$Precision</span><span class="s">)</span><span class="sc">;</span>
 196 
 197   <span class="i">$MaxResiduesCount</span> = <span class="i">$SequenceDataRef</span>-&gt;{<span class="w">Count</span>}<span class="sc">;</span>
 198   <span class="i">$Precision</span> = <span class="i">$OptionsInfo</span>{<span class="w">Precision</span>}<span class="sc">;</span>
 199   <span class="k">for</span> <span class="i">$RegionID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="w">RegionIDs</span>}}<span class="s">)</span> <span class="s">{</span>
 200     <span class="i">$StartResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">StartResNum</span>}<span class="sc">;</span>
 201     <span class="i">$EndResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">EndResNum</span>}<span class="sc">;</span>
 202     <span class="j">RESNUM:</span> <span class="k">for</span> <span class="i">$ResNum</span> <span class="s">(</span><span class="i">$StartResNum</span> .. <span class="i">$EndResNum</span><span class="s">)</span> <span class="s">{</span>
 203       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>} &amp;&amp; <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$FileIndex</span>]{<span class="w">IsGap</span>}{<span class="i">$ResNum</span>}<span class="s">)</span> <span class="s">{</span>
 204         <span class="k">next</span> <span class="j">RESNUM</span><span class="sc">;</span>
 205       <span class="s">}</span>
 206       <span class="k">for</span> <span class="i">$Residue</span> <span class="s">(</span><span class="k">keys</span> <span class="i">%</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}}<span class="s">)</span> <span class="s">{</span>
 207         <span class="i">$Count</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>}<span class="sc">;</span>
 208         <span class="i">$PercentCount</span> = <span class="s">(</span><span class="i">$Count</span> / <span class="i">$MaxResiduesCount</span><span class="s">)</span> * <span class="n">100</span><span class="sc">;</span>
 209         <span class="i">$PercentCount</span> = <span class="k">sprintf</span><span class="s">(</span><span class="q">&quot;%.${Precision}f&quot;</span><span class="cm">,</span> <span class="i">$PercentCount</span><span class="s">)</span> + <span class="n">0</span><span class="sc">;</span>
 210         <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">PercentCount</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>} = <span class="i">$PercentCount</span><span class="sc">;</span>
 211       <span class="s">}</span>
 212     <span class="s">}</span>
 213   <span class="s">}</span>
 214 <span class="s">}</span>
 215 
 216 <span class="c"># Generate output files...</span>
<a name="GeneratePercentResidueFrequencyOutFilesForRegions-"></a> 217 <span class="k">sub </span><span class="m">GeneratePercentResidueFrequencyOutFilesForRegions</span> <span class="s">{</span>
 218   <span class="k">my</span><span class="s">(</span><span class="i">$FileIndex</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 219 
 220   <span class="c"># Setup rerfernce sequence data...</span>
 221   <span class="k">my</span><span class="s">(</span><span class="i">$RefereceSequenceID</span><span class="cm">,</span> <span class="i">$RefereceSequence</span><span class="s">)</span><span class="sc">;</span>
 222   <span class="i">$RefereceSequenceID</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceID</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span>
 223   <span class="i">$RefereceSequence</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequence</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span>
 224 
 225   <span class="k">my</span><span class="s">(</span><span class="i">$RegionID</span><span class="cm">,</span> <span class="i">$StartResNum</span><span class="cm">,</span> <span class="i">$EndResNum</span><span class="cm">,</span> <span class="i">$ResNum</span><span class="cm">,</span> <span class="i">$Count</span><span class="cm">,</span> <span class="i">$PercentCount</span><span class="cm">,</span> <span class="i">$Residue</span><span class="cm">,</span> <span class="i">$RegionNum</span><span class="cm">,</span> <span class="i">$RegionOutFile</span><span class="cm">,</span> <span class="i">$PercentRegionOutFile</span><span class="cm">,</span> <span class="i">$OutFileRoot</span><span class="cm">,</span> <span class="i">$OutFileExt</span><span class="cm">,</span> <span class="i">$Line</span><span class="cm">,</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">@PercentLineWords</span><span class="s">)</span><span class="sc">;</span>
 226 
 227   <span class="i">$OutFileRoot</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileRoot</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span>
 228   <span class="i">$OutFileExt</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileExt</span>}[<span class="i">$FileIndex</span>]<span class="sc">;</span>
 229   <span class="i">$RegionNum</span> = <span class="n">0</span><span class="sc">;</span>
 230   <span class="k">for</span> <span class="i">$RegionID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="w">RegionIDs</span>}}<span class="s">)</span> <span class="s">{</span>
 231     <span class="i">$RegionNum</span>++<span class="sc">;</span>
 232     <span class="i">$StartResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">StartResNum</span>}<span class="sc">;</span>
 233     <span class="i">$EndResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">EndResNum</span>}<span class="sc">;</span>
 234 
 235     <span class="i">$RegionOutFile</span> = <span class="q">&quot;${OutFileRoot}ResidueFrequencyAnalysisRegion${RegionNum}.${OutFileExt}&quot;</span><span class="sc">;</span>
 236     <span class="i">$PercentRegionOutFile</span> = <span class="q">&quot;${OutFileRoot}PercentResidueFrequencyAnalysisRegion${RegionNum}.${OutFileExt}&quot;</span><span class="sc">;</span>
 237 
 238     <span class="k">print</span> <span class="q">&quot;Generating $RegionOutFile and $PercentRegionOutFile...\n&quot;</span><span class="sc">;</span>
 239     <span class="k">open</span> <span class="w">REGIONOUTFILE</span><span class="cm">,</span> <span class="q">&quot;&gt;$RegionOutFile&quot;</span> <span class="k">or</span> <span class="k">die</span> <span class="q">&quot;Error: Can&#39;t open $RegionOutFile: $! \n&quot;</span><span class="sc">;</span>
 240     <span class="k">open</span> <span class="w">PERCENTREGIONOUTFILE</span><span class="cm">,</span> <span class="q">&quot;&gt;$PercentRegionOutFile&quot;</span> <span class="k">or</span> <span class="k">die</span> <span class="q">&quot;Error: Can&#39;t open $PercentRegionOutFile: $! \n&quot;</span><span class="sc">;</span>
 241 
 242     <span class="c"># Write out reference residue positions as column values....</span>
 243     <span class="i">@LineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 244     <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="q">&#39;&#39;</span><span class="sc">;</span>
 245     <span class="j">RESNUM:</span> <span class="k">for</span> <span class="i">$ResNum</span> <span class="s">(</span><span class="i">$StartResNum</span> .. <span class="i">$EndResNum</span><span class="s">)</span> <span class="s">{</span>
 246       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>} &amp;&amp; <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$FileIndex</span>]{<span class="w">IsGap</span>}{<span class="i">$ResNum</span>}<span class="s">)</span> <span class="s">{</span>
 247         <span class="k">next</span> <span class="j">RESNUM</span><span class="sc">;</span>
 248       <span class="s">}</span>
 249       <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$ResNum</span><span class="sc">;</span>
 250     <span class="s">}</span>
 251     <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
 252     <span class="k">print</span> <span class="i">REGIONOUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 253     <span class="k">print</span> <span class="i">PERCENTREGIONOUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 254 
 255 
 256     <span class="c"># Write out row data for each residue; Gap residue is written last...</span>
 257     <span class="j">RESIDUE:</span> <span class="k">for</span> <span class="i">$Residue</span> <span class="s">(</span><span class="k">sort</span> <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">ResidueCodes</span>}[<span class="i">$FileIndex</span>]}<span class="s">)</span> <span class="s">{</span>
 258       <span class="k">if</span> <span class="s">(</span><span class="i">$Residue</span> =~ <span class="q">/^Gap$/i</span><span class="s">)</span> <span class="s">{</span>
 259         <span class="k">next</span> <span class="j">RESIDUE</span><span class="sc">;</span>
 260       <span class="s">}</span>
 261       <span class="i">@LineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 262       <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$Residue</span><span class="sc">;</span>
 263       <span class="i">@PercentLineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 264       <span class="k">push</span> <span class="i">@PercentLineWords</span><span class="cm">,</span> <span class="i">$Residue</span><span class="sc">;</span>
 265 
 266       <span class="j">RESNUM:</span> <span class="k">for</span> <span class="i">$ResNum</span> <span class="s">(</span><span class="i">$StartResNum</span> .. <span class="i">$EndResNum</span><span class="s">)</span> <span class="s">{</span>
 267         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>} &amp;&amp; <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$FileIndex</span>]{<span class="w">IsGap</span>}{<span class="i">$ResNum</span>}<span class="s">)</span> <span class="s">{</span>
 268           <span class="k">next</span> <span class="j">RESNUM</span><span class="sc">;</span>
 269         <span class="s">}</span>
 270         <span class="i">$Count</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>}<span class="sc">;</span>
 271         <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$Count</span><span class="sc">;</span>
 272         <span class="i">$PercentCount</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">PercentCount</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>}<span class="sc">;</span>
 273         <span class="k">push</span> <span class="i">@PercentLineWords</span><span class="cm">,</span> <span class="i">$PercentCount</span><span class="sc">;</span>
 274       <span class="s">}</span>
 275       <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
 276       <span class="k">print</span> <span class="i">REGIONOUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 277 
 278       <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@PercentLineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
 279       <span class="k">print</span> <span class="i">PERCENTREGIONOUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 280     <span class="s">}</span>
 281 
 282     <span class="c"># Write out data for gap...</span>
 283     <span class="i">$Residue</span> = <span class="q">&#39;Gap&#39;</span><span class="sc">;</span>
 284     <span class="i">@LineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 285     <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$Residue</span><span class="sc">;</span>
 286     <span class="i">@PercentLineWords</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 287     <span class="k">push</span> <span class="i">@PercentLineWords</span><span class="cm">,</span> <span class="i">$Residue</span><span class="sc">;</span>
 288 
 289     <span class="j">RESNUM:</span> <span class="k">for</span> <span class="i">$ResNum</span> <span class="s">(</span><span class="i">$StartResNum</span> .. <span class="i">$EndResNum</span><span class="s">)</span> <span class="s">{</span>
 290       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>} &amp;&amp; <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$FileIndex</span>]{<span class="w">IsGap</span>}{<span class="i">$ResNum</span>}<span class="s">)</span> <span class="s">{</span>
 291         <span class="k">next</span> <span class="j">RESNUM</span><span class="sc">;</span>
 292       <span class="s">}</span>
 293       <span class="i">$Count</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>}<span class="sc">;</span>
 294       <span class="k">push</span> <span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$Count</span><span class="sc">;</span>
 295 
 296       <span class="i">$PercentCount</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$FileIndex</span>]{<span class="i">$RegionID</span>}{<span class="w">PercentCount</span>}{<span class="i">$ResNum</span>}{<span class="i">$Residue</span>}<span class="sc">;</span>
 297       <span class="k">push</span> <span class="i">@PercentLineWords</span><span class="cm">,</span> <span class="i">$PercentCount</span><span class="sc">;</span>
 298     <span class="s">}</span>
 299     <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@LineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
 300     <span class="k">print</span> <span class="i">REGIONOUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 301 
 302     <span class="i">$Line</span> = <span class="i">JoinWords</span><span class="s">(</span>\<span class="i">@PercentLineWords</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>}<span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>}<span class="s">)</span><span class="sc">;</span>
 303     <span class="k">print</span> <span class="i">PERCENTREGIONOUTFILE</span> <span class="q">&quot;$Line\n&quot;</span><span class="sc">;</span>
 304 
 305     <span class="k">close</span> <span class="w">REGIONOUTFILE</span><span class="sc">;</span>
 306     <span class="k">close</span> <span class="w">PERCENTREGIONOUTFILE</span><span class="sc">;</span>
 307   <span class="s">}</span>
 308 <span class="s">}</span>
 309 
 310 <span class="c"># Process option values...</span>
<a name="ProcessOptions-"></a> 311 <span class="k">sub </span><span class="m">ProcessOptions</span> <span class="s">{</span>
 312   <span class="i">%OptionsInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 313 
 314   <span class="c"># Setup analysis mode...</span>
 315   <span class="i">$OptionsInfo</span>{<span class="w">CalculatePercentIdentityMatrix</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(PercentIdentityMatrix|All)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 316   <span class="i">$OptionsInfo</span>{<span class="w">PerformResidueFrequencyAnalysis</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} =~ <span class="q">/^(ResidueFrequencyAnalysis|All)$/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 317 
 318   <span class="c"># Setup delimiter and quotes...</span>
 319   <span class="i">$OptionsInfo</span>{<span class="w">OutDelim</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/tab/i</span> <span class="s">)</span> ? <span class="q">&quot;\t&quot;</span> <span class="co">:</span> <span class="s">(</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/semicolon/i</span><span class="s">)</span> ? <span class="q">&quot;\;&quot;</span> <span class="co">:</span> <span class="q">&quot;\,&quot;</span><span class="s">)</span><span class="sc">;</span>
 320   <span class="i">$OptionsInfo</span>{<span class="w">OutQuote</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} =~ <span class="q">/yes/i</span> <span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 321 
 322   <span class="c"># Setup reference sequence and regions for residue frequence analysis...</span>
 323   <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedRefereceSequence</span>} = <span class="i">$Options</span>{<span class="w">referencesequence</span>}<span class="sc">;</span>
 324   <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedRegion</span>} = <span class="i">$Options</span>{<span class="w">region</span>}<span class="sc">;</span>
 325   <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedRegions</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 326 
 327   <span class="k">my</span><span class="s">(</span><span class="i">@SpecifiedRegions</span><span class="s">)</span><span class="sc">;</span>
 328   <span class="i">@SpecifiedRegions</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 329   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">region</span>} =~ <span class="q">/\,/</span><span class="s">)</span> <span class="s">{</span>
 330     <span class="i">@SpecifiedRegions</span> = <span class="k">split</span> <span class="q">/\,/</span><span class="cm">,</span> <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedRegion</span>}<span class="sc">;</span>
 331     <span class="k">if</span> <span class="s">(</span><span class="i">@SpecifiedRegions</span> % <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
 332       <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid. Allowed values: \&quot;StartResNum,EndResNum,[StartResNum,EndResNum...]\&quot; or UseCompleteSequence\n&quot;</span><span class="sc">;</span>
 333     <span class="s">}</span>
 334     <span class="c"># Make sure EndResNum &gt; StartResNum...</span>
 335     <span class="k">my</span><span class="s">(</span><span class="i">$StartResNum</span><span class="cm">,</span> <span class="i">$EndResNum</span><span class="cm">,</span> <span class="i">$Index</span><span class="cm">,</span> <span class="i">$RegionNum</span><span class="s">)</span><span class="sc">;</span>
 336     <span class="i">$RegionNum</span> = <span class="n">0</span><span class="sc">;</span>
 337     <span class="k">for</span> <span class="s">(</span><span class="i">$Index</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$Index</span> &lt;= <span class="i">$#SpecifiedRegions</span><span class="sc">;</span> <span class="i">$Index</span> += <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
 338       <span class="i">$StartResNum</span> = <span class="i">$SpecifiedRegions</span>[<span class="i">$Index</span>]<span class="sc">;</span>
 339       <span class="i">$EndResNum</span> = <span class="i">$SpecifiedRegions</span>[<span class="i">$Index</span> + <span class="n">1</span>]<span class="sc">;</span>
 340       <span class="i">$RegionNum</span>++<span class="sc">;</span>
 341       <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$StartResNum</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 342         <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid: The start residue number, $StartResNum, must be a positive integer for region $RegionNum.\n&quot;</span><span class="sc">;</span>
 343       <span class="s">}</span>
 344       <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$EndResNum</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 345         <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid: The start residue number, $EndResNum, must be a positive integer for region $RegionNum.\n&quot;</span><span class="sc">;</span>
 346       <span class="s">}</span>
 347       <span class="k">if</span> <span class="s">(</span><span class="i">$StartResNum</span> &gt;= <span class="i">$EndResNum</span><span class="s">)</span> <span class="s">{</span>
 348         <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid: The start residue number, $StartResNum, must be smaller than end residue number, $EndResNum, for region $RegionNum.\n&quot;</span><span class="sc">;</span>
 349       <span class="s">}</span>
 350     <span class="s">}</span>
 351   <span class="s">}</span>
 352   <span class="k">else</span> <span class="s">{</span>
 353     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">region</span>} !~ <span class="q">/^UseCompleteSequence$/i</span><span class="s">)</span> <span class="s">{</span>
 354       <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid. Allowed values: \&quot;StartResNum,EndResNum,[StartResNum,EndResNum...]\&quot; or UseCompleteSequence\n&quot;</span><span class="sc">;</span>
 355     <span class="s">}</span>
 356   <span class="s">}</span>
 357   <span class="k">push</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedRegions</span>}}<span class="cm">,</span> <span class="i">@SpecifiedRegions</span><span class="sc">;</span>
 358 
 359   <span class="c"># Miscellaneous options...</span>
 360   <span class="i">$OptionsInfo</span>{<span class="w">Precision</span>} = <span class="i">$Options</span>{<span class="w">precision</span>}<span class="sc">;</span>
 361   <span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>} = <span class="s">(</span><span class="i">$Options</span>{<span class="w">ignoregaps</span>} =~ <span class="q">/Yes/i</span><span class="s">)</span> ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 362   <span class="i">$OptionsInfo</span>{<span class="w">RegionResiduesMode</span>} = <span class="i">$Options</span>{<span class="w">regionresiduesmode</span>}<span class="sc">;</span>
 363 
 364   <span class="i">$OptionsInfo</span>{<span class="w">OverwriteFiles</span>} = <span class="i">$Options</span>{<span class="w">overwrite</span>} ? <span class="n">1</span> <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 365   <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>} = <span class="i">$Options</span>{<span class="w">root</span>} ? <span class="i">$Options</span>{<span class="w">root</span>} <span class="co">:</span> <span class="n">0</span><span class="sc">;</span>
 366 <span class="s">}</span>
 367 
 368 <span class="c"># Retrieve information about sequence files...</span>
<a name="RetrieveSequenceFilesInfo-"></a> 369 <span class="k">sub </span><span class="m">RetrieveSequenceFilesInfo</span> <span class="s">{</span>
 370   <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$SequenceFile</span><span class="cm">,</span> <span class="i">$FileSupported</span><span class="cm">,</span> <span class="i">$FileFormat</span><span class="cm">,</span> <span class="i">$SequenceCount</span><span class="cm">,</span> <span class="i">$RefereceSequence</span><span class="cm">,</span> <span class="i">$RefereceSequenceID</span><span class="cm">,</span> <span class="i">$RefereceSequenceLen</span><span class="cm">,</span> <span class="i">$RefereceSequenceWithNoGaps</span><span class="cm">,</span> <span class="i">$RefereceSequenceWithNoGapsLen</span><span class="cm">,</span> <span class="i">$RefereceSequenceRegionCount</span><span class="cm">,</span> <span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="cm">,</span> <span class="i">$OutFileRoot</span><span class="cm">,</span> <span class="i">$OutFileExt</span><span class="cm">,</span> <span class="i">$SequenceDataRef</span><span class="cm">,</span> <span class="i">$SpecifiedRefereceSequence</span><span class="cm">,</span> <span class="i">@SpecifiedRegions</span><span class="cm">,</span> <span class="i">@RefereceSequenceRegions</span><span class="s">)</span><span class="sc">;</span>
 371 
 372   <span class="i">%SequenceFilesInfo</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 373   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">FilesOkay</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 374   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileRoot</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 375   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileExt</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 376   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">Format</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 377   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">SequenceCount</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 378   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceID</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 379   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequence</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 380   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceLen</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 381   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceWithNoGaps</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 382   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceWithNoGapsLen</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 383   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceRegions</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 384   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceRegionCount</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 385   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">ResidueCodes</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 386 
 387   <span class="j">FILELIST:</span> <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SequenceFilesList</span><span class="s">)</span> <span class="s">{</span>
 388     <span class="i">$SequenceFile</span> = <span class="i">$SequenceFilesList</span>[<span class="i">$Index</span>]<span class="sc">;</span>
 389     <span class="i">$SequenceFilesInfo</span>{<span class="w">FilesOkay</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span>
 390     <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileRoot</span>}[<span class="i">$Index</span>] = <span class="q">&#39;&#39;</span><span class="sc">;</span>
 391     <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileExt</span>}[<span class="i">$Index</span>] = <span class="q">&#39;&#39;</span><span class="sc">;</span>
 392     <span class="i">$SequenceFilesInfo</span>{<span class="w">Format</span>}[<span class="i">$Index</span>] = <span class="q">&#39;NotSupported&#39;</span><span class="sc">;</span>
 393     <span class="i">$SequenceFilesInfo</span>{<span class="w">SequenceCount</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span>
 394     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceID</span>}[<span class="i">$Index</span>] = <span class="q">&#39;&#39;</span><span class="sc">;</span>
 395     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequence</span>}[<span class="i">$Index</span>] = <span class="q">&#39;&#39;</span><span class="sc">;</span>
 396     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceLen</span>}[<span class="i">$Index</span>] = <span class="q">&#39;&#39;</span><span class="sc">;</span>
 397     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceWithNoGaps</span>}[<span class="i">$Index</span>] = <span class="q">&#39;&#39;</span><span class="sc">;</span>
 398     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceWithNoGapsLen</span>}[<span class="i">$Index</span>] = <span class="q">&#39;&#39;</span><span class="sc">;</span>
 399     <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceRegions</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 400     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceRegionCount</span>}[<span class="i">$Index</span>] = <span class="n">0</span><span class="sc">;</span>
 401     <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">ResidueCodes</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 402 
 403     <span class="k">if</span> <span class="s">(</span>! <span class="k">open</span> <span class="w">SEQUENCEFILE</span><span class="cm">,</span> <span class="q">&quot;$SequenceFile&quot;</span><span class="s">)</span> <span class="s">{</span>
 404       <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: Couldn&#39;t open it: $! \n&quot;</span><span class="sc">;</span>
 405       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 406     <span class="s">}</span>
 407     <span class="k">close</span> <span class="w">SEQUENCEFILE</span><span class="sc">;</span>
 408 
 409     <span class="s">(</span><span class="i">$FileSupported</span><span class="cm">,</span> <span class="i">$FileFormat</span><span class="s">)</span> = <span class="i">IsSupportedSequenceFile</span><span class="s">(</span><span class="i">$SequenceFile</span><span class="s">)</span><span class="sc">;</span>
 410     <span class="k">if</span> <span class="s">(</span>!<span class="i">$FileSupported</span><span class="s">)</span> <span class="s">{</span>
 411       <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: Sequence file format is not supported.\n&quot;</span><span class="sc">;</span>
 412       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 413     <span class="s">}</span>
 414 
 415     <span class="i">$SequenceDataRef</span> = <span class="i">ReadSequenceFile</span><span class="s">(</span><span class="i">$SequenceFile</span><span class="s">)</span><span class="sc">;</span>
 416 
 417     <span class="i">$SequenceCount</span> = <span class="i">$SequenceDataRef</span>-&gt;{<span class="w">Count</span>}<span class="sc">;</span>
 418     <span class="k">if</span> <span class="s">(</span>!<span class="i">$SequenceCount</span><span class="s">)</span> <span class="s">{</span>
 419       <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: Sequence data is missing.\n&quot;</span><span class="sc">;</span>
 420       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 421     <span class="s">}</span>
 422 
 423     <span class="c"># Make sure all sequence lengths are identical...</span>
 424     <span class="k">if</span> <span class="s">(</span>!<span class="i">AreSequenceLengthsIdentical</span><span class="s">(</span><span class="i">$SequenceDataRef</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 425       <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: Sequence legths are not identical.\n&quot;</span><span class="sc">;</span>
 426       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 427     <span class="s">}</span>
 428     <span class="i">$SpecifiedRefereceSequence</span> = <span class="i">$OptionsInfo</span>{<span class="w">SpecifiedRefereceSequence</span>}<span class="sc">;</span>
 429     <span class="c"># Make sure reference sequence ID is valid...</span>
 430     <span class="k">if</span> <span class="s">(</span><span class="i">$SpecifiedRefereceSequence</span> =~ <span class="q">/^UseFirstSequenceID$/i</span><span class="s">)</span> <span class="s">{</span>
 431       <span class="i">$RefereceSequenceID</span> = <span class="i">$SequenceDataRef</span>-&gt;{<span class="w">IDs</span>}[<span class="n">0</span>]<span class="sc">;</span>
 432     <span class="s">}</span>
 433     <span class="k">else</span> <span class="s">{</span>
 434       <span class="k">if</span> <span class="s">(</span>!<span class="k">exists</span><span class="s">(</span><span class="i">$SequenceDataRef</span>-&gt;{<span class="w">Sequence</span>}{<span class="i">$SpecifiedRefereceSequence</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 435         <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: Rreference sequence ID, $SpecifiedRefereceSequence, specified using option \&quot;--referencesequence\&quot; is missing.\n&quot;</span><span class="sc">;</span>
 436         <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 437       <span class="s">}</span>
 438       <span class="i">$RefereceSequenceID</span> = <span class="i">$SpecifiedRefereceSequence</span><span class="sc">;</span>
 439     <span class="s">}</span>
 440 
 441     <span class="c"># Make sure sequence regions corresponding to reference sequence are valid...</span>
 442     <span class="i">@RefereceSequenceRegions</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 443     <span class="i">$RefereceSequenceRegionCount</span> = <span class="n">0</span><span class="sc">;</span>
 444     <span class="i">$RefereceSequence</span> = <span class="i">$SequenceDataRef</span>-&gt;{<span class="w">Sequence</span>}{<span class="i">$RefereceSequenceID</span>}<span class="sc">;</span>
 445     <span class="i">$RefereceSequenceLen</span> = <span class="k">length</span> <span class="i">$RefereceSequence</span><span class="sc">;</span>
 446 
 447     <span class="i">$RefereceSequenceWithNoGaps</span> = <span class="i">RemoveSequenceGaps</span><span class="s">(</span><span class="i">$RefereceSequence</span><span class="s">)</span><span class="sc">;</span>
 448     <span class="i">$RefereceSequenceWithNoGapsLen</span> = <span class="k">length</span> <span class="i">$RefereceSequenceWithNoGaps</span><span class="sc">;</span>
 449 
 450     <span class="i">@SpecifiedRegions</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 451     <span class="k">push</span> <span class="i">@SpecifiedRegions</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$OptionsInfo</span>{<span class="w">SpecifiedRegions</span>}}<span class="sc">;</span>
 452     <span class="k">if</span> <span class="s">(</span><span class="i">@SpecifiedRegions</span><span class="s">)</span> <span class="s">{</span>
 453       <span class="c"># Make sure specified regions are valid...</span>
 454       <span class="k">my</span><span class="s">(</span><span class="i">$StartResNum</span><span class="cm">,</span> <span class="i">$EndResNum</span><span class="cm">,</span> <span class="i">$RegionIndex</span><span class="cm">,</span> <span class="i">$RegionNum</span><span class="s">)</span><span class="sc">;</span>
 455       <span class="i">$RegionNum</span> = <span class="n">0</span><span class="sc">;</span>
 456       <span class="k">for</span> <span class="s">(</span><span class="i">$RegionIndex</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$RegionIndex</span> &lt;= <span class="i">$#SpecifiedRegions</span><span class="sc">;</span> <span class="i">$RegionIndex</span> += <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
 457         <span class="i">$StartResNum</span> = <span class="i">$SpecifiedRegions</span>[<span class="i">$RegionIndex</span>]<span class="sc">;</span>
 458         <span class="i">$EndResNum</span> = <span class="i">$SpecifiedRegions</span>[<span class="i">$RegionIndex</span> + <span class="n">1</span>]<span class="sc">;</span>
 459         <span class="i">$RegionNum</span>++<span class="sc">;</span>
 460         <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>}<span class="s">)</span> <span class="s">{</span>
 461           <span class="k">if</span> <span class="s">(</span><span class="i">$StartResNum</span> &gt; <span class="i">$RefereceSequenceWithNoGapsLen</span><span class="s">)</span> <span class="s">{</span>
 462             <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid: The start residue number, $StartResNum, must be smaller the sequence length, $RefereceSequenceWithNoGapsLen, of reference sequence ID,  $RefereceSequenceID, in region $RegionNum. The reference sequence residue numbers correspond to the sequence with no gaps. Specify \&quot;No\&quot; value for \&quot;-i, --ignoregaps\&quot; option to use residue numbers corresponding to reference sequence including gaps.\n&quot;</span><span class="sc">;</span>
 463             <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 464           <span class="s">}</span>
 465           <span class="k">if</span> <span class="s">(</span><span class="i">$EndResNum</span> &gt; <span class="i">$RefereceSequenceWithNoGapsLen</span><span class="s">)</span> <span class="s">{</span>
 466             <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid: The end residue number, $EndResNum, must be smaller the sequence length, $RefereceSequenceWithNoGapsLen, of reference sequence ID,  $RefereceSequenceID, in region $RegionNum. The reference sequence residue numbers correspond to the sequence with no gaps. Specify \&quot;No\&quot; value for \&quot;-i, --ignoregaps\&quot; option to use residue numbers corresponding to reference sequence including gaps.\n&quot;</span><span class="sc">;</span>
 467             <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 468           <span class="s">}</span>
 469         <span class="s">}</span>
 470         <span class="k">else</span> <span class="s">{</span>
 471           <span class="k">if</span> <span class="s">(</span><span class="i">$StartResNum</span> &gt; <span class="i">$RefereceSequenceLen</span><span class="s">)</span> <span class="s">{</span>
 472             <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid: The start residue number, $StartResNum, must be smaller the sequence length, $RefereceSequenceLen, of reference sequence ID,  $RefereceSequenceID, in region $RegionNum.\n&quot;</span><span class="sc">;</span>
 473             <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 474           <span class="s">}</span>
 475           <span class="k">if</span> <span class="s">(</span><span class="i">$EndResNum</span> &gt; <span class="i">$RefereceSequenceLen</span><span class="s">)</span> <span class="s">{</span>
 476             <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: The value specified, $Options{region}, for option \&quot;--region\&quot; is not valid: The end residue number, $EndResNum, must be smaller the sequence length, $RefereceSequenceLen, of reference sequence ID,  $RefereceSequenceID, in region $RegionNum.\n&quot;</span><span class="sc">;</span>
 477             <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 478           <span class="s">}</span>
 479         <span class="s">}</span>
 480         <span class="k">push</span> <span class="i">@RefereceSequenceRegions</span><span class="cm">,</span> <span class="s">(</span><span class="i">$StartResNum</span><span class="cm">,</span> <span class="i">$EndResNum</span><span class="s">)</span><span class="sc">;</span>
 481       <span class="s">}</span>
 482       <span class="i">$RefereceSequenceRegionCount</span> = <span class="i">$RegionNum</span><span class="sc">;</span>
 483     <span class="s">}</span>
 484     <span class="k">else</span> <span class="s">{</span>
 485       <span class="c"># Use complete sequence corresponding to reference sequence ID...</span>
 486       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>}<span class="s">)</span> <span class="s">{</span>
 487         <span class="k">push</span> <span class="i">@RefereceSequenceRegions</span><span class="cm">,</span> <span class="s">(</span><span class="n">1</span><span class="cm">,</span> <span class="i">$RefereceSequenceWithNoGapsLen</span><span class="s">)</span><span class="sc">;</span>
 488       <span class="s">}</span>
 489       <span class="k">else</span> <span class="s">{</span>
 490         <span class="k">push</span> <span class="i">@RefereceSequenceRegions</span><span class="cm">,</span> <span class="s">(</span><span class="n">1</span><span class="cm">,</span> <span class="i">$RefereceSequenceLen</span><span class="s">)</span><span class="sc">;</span>
 491       <span class="s">}</span>
 492       <span class="i">$RefereceSequenceRegionCount</span> = <span class="n">1</span><span class="sc">;</span>
 493     <span class="s">}</span>
 494     <span class="c"># Setup output file names...</span>
 495     <span class="i">$FileDir</span> = <span class="q">&quot;&quot;</span><span class="sc">;</span> <span class="i">$FileName</span> = <span class="q">&quot;&quot;</span><span class="sc">;</span> <span class="i">$FileExt</span> = <span class="q">&quot;&quot;</span><span class="sc">;</span>
 496     <span class="s">(</span><span class="i">$FileDir</span><span class="cm">,</span> <span class="i">$FileName</span><span class="cm">,</span> <span class="i">$FileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$SequenceFile</span><span class="s">)</span><span class="sc">;</span>
 497     <span class="i">$FileExt</span> = <span class="q">&quot;csv&quot;</span><span class="sc">;</span>
 498     <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} =~ <span class="q">/^tab$/i</span><span class="s">)</span> <span class="s">{</span>
 499       <span class="i">$FileExt</span> = <span class="q">&quot;tsv&quot;</span><span class="sc">;</span>
 500     <span class="s">}</span>
 501     <span class="i">$OutFileExt</span> = <span class="i">$FileExt</span><span class="sc">;</span>
 502     <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>} &amp;&amp; <span class="s">(</span><span class="i">@SequenceFilesList</span> == <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 503       <span class="k">my</span> <span class="s">(</span><span class="i">$RootFileDir</span><span class="cm">,</span> <span class="i">$RootFileName</span><span class="cm">,</span> <span class="i">$RootFileExt</span><span class="s">)</span> = <span class="i">ParseFileName</span><span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="s">)</span><span class="sc">;</span>
 504       <span class="k">if</span> <span class="s">(</span><span class="i">$RootFileName</span> &amp;&amp; <span class="i">$RootFileExt</span><span class="s">)</span> <span class="s">{</span>
 505         <span class="i">$FileName</span> = <span class="i">$RootFileName</span><span class="sc">;</span>
 506       <span class="s">}</span>
 507       <span class="k">else</span> <span class="s">{</span>
 508         <span class="i">$FileName</span> = <span class="i">$OptionsInfo</span>{<span class="w">OutFileRoot</span>}<span class="sc">;</span>
 509       <span class="s">}</span>
 510       <span class="i">$OutFileRoot</span> = <span class="i">$FileName</span><span class="sc">;</span>
 511     <span class="s">}</span>
 512     <span class="k">else</span> <span class="s">{</span>
 513       <span class="i">$OutFileRoot</span> = <span class="i">$FileName</span><span class="sc">;</span>
 514     <span class="s">}</span>
 515     <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">OverwriteFiles</span>}<span class="s">)</span> <span class="s">{</span>
 516       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">CalculatePercentIdentityMatrix</span>}<span class="s">)</span> <span class="s">{</span>
 517         <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="q">&quot;${OutFileRoot}PercentIdentityMatrix.${OutFileExt}&quot;</span><span class="s">)</span> <span class="s">{</span>
 518           <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: The file ${OutFileRoot}PercentIdentityMatrix.${OutFileExt} already exists\n&quot;</span><span class="sc">;</span>
 519           <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 520         <span class="s">}</span>
 521       <span class="s">}</span>
 522       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">PerformResidueFrequencyAnalysis</span>}<span class="s">)</span> <span class="s">{</span>
 523         <span class="k">my</span><span class="s">(</span><span class="i">$RegionNum</span><span class="s">)</span><span class="sc">;</span>
 524         <span class="k">for</span> <span class="i">$RegionNum</span> <span class="s">(</span><span class="n">1</span> .. <span class="i">$RefereceSequenceRegionCount</span><span class="s">)</span> <span class="s">{</span>
 525           <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="q">&quot;${OutFileRoot}ResidueFrequencyAnalysisRegion${RegionNum}.${OutFileExt}&quot;</span><span class="s">)</span> <span class="s">{</span>
 526             <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: The file ${OutFileRoot}ResidueFrequencyAnalysisRegion${RegionNum}.${OutFileExt} already exists\n&quot;</span><span class="sc">;</span>
 527             <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 528           <span class="s">}</span>
 529           <span class="k">if</span> <span class="s">(</span><span class="k">-e</span> <span class="q">&quot;${OutFileRoot}PercentResidueFrequencyAnalysisRegion${RegionNum}.${OutFileExt}&quot;</span><span class="s">)</span> <span class="s">{</span>
 530             <span class="k">warn</span> <span class="q">&quot;Warning: Ignoring file $SequenceFile: The file ${OutFileRoot}PercentResidueFrequencyAnalysisRegion${RegionNum}.${OutFileExt} already exists\n&quot;</span><span class="sc">;</span>
 531             <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 532           <span class="s">}</span>
 533         <span class="s">}</span>
 534       <span class="s">}</span>
 535     <span class="s">}</span>
 536 
 537     <span class="i">$SequenceFilesInfo</span>{<span class="w">FilesOkay</span>}[<span class="i">$Index</span>] = <span class="n">1</span><span class="sc">;</span>
 538     <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileRoot</span>}[<span class="i">$Index</span>] = <span class="i">$OutFileRoot</span><span class="sc">;</span>
 539     <span class="i">$SequenceFilesInfo</span>{<span class="w">OutFileExt</span>}[<span class="i">$Index</span>] = <span class="i">$OutFileExt</span><span class="sc">;</span>
 540 
 541     <span class="i">$SequenceFilesInfo</span>{<span class="w">Format</span>}[<span class="i">$Index</span>] = <span class="i">$FileFormat</span><span class="sc">;</span>
 542     <span class="i">$SequenceFilesInfo</span>{<span class="w">SequenceCount</span>}[<span class="i">$Index</span>] = <span class="i">$SequenceCount</span><span class="sc">;</span>
 543     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceID</span>}[<span class="i">$Index</span>] = <span class="i">$RefereceSequenceID</span><span class="sc">;</span>
 544     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequence</span>}[<span class="i">$Index</span>] = <span class="i">$RefereceSequence</span><span class="sc">;</span>
 545     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceLen</span>}[<span class="i">$Index</span>] = <span class="i">$RefereceSequenceLen</span><span class="sc">;</span>
 546     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceWithNoGaps</span>}[<span class="i">$Index</span>] = <span class="i">$RefereceSequenceWithNoGaps</span><span class="sc">;</span>
 547     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceWithNoGapsLen</span>}[<span class="i">$Index</span>] = <span class="i">$RefereceSequenceWithNoGapsLen</span><span class="sc">;</span>
 548     <span class="k">push</span> <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceRegions</span>}[<span class="i">$Index</span>]}<span class="cm">,</span> <span class="i">@RefereceSequenceRegions</span><span class="sc">;</span>
 549     <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceRegionCount</span>}[<span class="i">$Index</span>] = <span class="i">$RefereceSequenceRegionCount</span><span class="sc">;</span>
 550 
 551     <span class="c"># Setup residue codes...</span>
 552     <span class="i">SetupSequenceFileResidueCodes</span><span class="s">(</span><span class="i">$SequenceDataRef</span><span class="cm">,</span> <span class="i">$Index</span><span class="s">)</span><span class="sc">;</span>
 553   <span class="s">}</span>
 554 <span class="s">}</span>
 555 
<a name="SetupSequenceFileResidueCodes-"></a> 556 <span class="k">sub </span><span class="m">SetupSequenceFileResidueCodes</span> <span class="s">{</span>
 557   <span class="k">my</span><span class="s">(</span><span class="i">$SequenceDataRef</span><span class="cm">,</span> <span class="i">$FileIndex</span><span class="s">)</span> = <span class="i">@_</span><span class="sc">;</span>
 558   <span class="k">my</span><span class="s">(</span><span class="i">$Residue</span><span class="cm">,</span> <span class="i">@ResidueCodesList</span><span class="cm">,</span> <span class="i">%ResidueCodesMap</span><span class="s">)</span><span class="sc">;</span>
 559 
 560   <span class="c"># Initialize</span>
 561   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">ResidueCodes</span>}[<span class="i">$FileIndex</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 562 
 563   <span class="i">%ResidueCodesMap</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 564   <span class="i">@ResidueCodesList</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 565 
 566   <span class="c"># Setup standard amino acids and nucleic acids one letter codes...</span>
 567   <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RegionResiduesMode</span>} =~ <span class="q">/^AminoAcids$/i</span><span class="s">)</span> <span class="s">{</span>
 568     <span class="i">@ResidueCodesList</span> = <span class="i">AminoAcids::GetAminoAcids</span><span class="s">(</span><span class="q">&#39;OneLetterCode&#39;</span><span class="s">)</span><span class="sc">;</span>
 569   <span class="s">}</span>
 570   <span class="k">elsif</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">RegionResiduesMode</span>} =~ <span class="q">/^NucleicAcids$/i</span><span class="s">)</span> <span class="s">{</span>
 571     <span class="k">push</span> <span class="i">@ResidueCodesList</span><span class="cm">,</span> <span class="s">(</span><span class="q">&#39;A&#39;</span><span class="cm">,</span> <span class="q">&#39;G&#39;</span><span class="cm">,</span> <span class="q">&#39;T&#39;</span><span class="cm">,</span> <span class="q">&#39;U&#39;</span><span class="cm">,</span> <span class="q">&#39;C&#39;</span><span class="s">)</span><span class="sc">;</span>
 572   <span class="s">}</span>
 573   <span class="k">push</span> <span class="i">@ResidueCodesList</span><span class="cm">,</span> <span class="q">&#39;Gap&#39;</span><span class="sc">;</span>
 574   <span class="k">for</span> <span class="i">$Residue</span> <span class="s">(</span><span class="i">@ResidueCodesList</span><span class="s">)</span> <span class="s">{</span>
 575     <span class="i">$ResidueCodesMap</span>{<span class="i">$Residue</span>} = <span class="i">$Residue</span><span class="sc">;</span>
 576   <span class="s">}</span>
 577 
 578   <span class="c"># Go over all the residues in all the sequences and add missing ones to the list...</span>
 579   <span class="k">my</span><span class="s">(</span><span class="i">$ID</span><span class="cm">,</span> <span class="i">$Sequence</span><span class="cm">,</span> <span class="i">$ResIndex</span><span class="s">)</span><span class="sc">;</span>
 580   <span class="k">for</span> <span class="i">$ID</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SequenceDataRef</span>-&gt;{<span class="w">IDs</span>}}<span class="s">)</span> <span class="s">{</span>
 581     <span class="i">$Sequence</span> = <span class="i">$SequenceDataRef</span>-&gt;{<span class="w">Sequence</span>}{<span class="i">$ID</span>}<span class="sc">;</span>
 582     <span class="j">RES:</span> <span class="k">for</span> <span class="i">$ResIndex</span> <span class="s">(</span><span class="n">0</span> .. <span class="s">(</span><span class="k">length</span><span class="s">(</span><span class="i">$Sequence</span><span class="s">)</span> - <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 583       <span class="i">$Residue</span> = <span class="k">substr</span><span class="s">(</span><span class="i">$Sequence</span><span class="cm">,</span> <span class="i">$ResIndex</span><span class="cm">,</span> <span class="n">1</span><span class="s">)</span><span class="sc">;</span>
 584       <span class="k">if</span> <span class="s">(</span><span class="i">IsGapResidue</span><span class="s">(</span><span class="i">$Residue</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 585         <span class="k">next</span> <span class="j">RES</span><span class="sc">;</span>
 586       <span class="s">}</span>
 587       <span class="k">if</span> <span class="s">(</span><span class="k">exists</span> <span class="i">$ResidueCodesMap</span>{<span class="i">$Residue</span>}<span class="s">)</span> <span class="s">{</span>
 588         <span class="k">next</span> <span class="j">RES</span><span class="sc">;</span>
 589       <span class="s">}</span>
 590       <span class="k">push</span> <span class="i">@ResidueCodesList</span><span class="cm">,</span> <span class="i">$Residue</span><span class="sc">;</span>
 591       <span class="i">$ResidueCodesMap</span>{<span class="i">$Residue</span>} = <span class="i">$Residue</span><span class="sc">;</span>
 592     <span class="s">}</span>
 593   <span class="s">}</span>
 594   <span class="k">push</span> <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">ResidueCodes</span>}[<span class="i">$FileIndex</span>]}<span class="cm">,</span> <span class="i">@ResidueCodesList</span><span class="sc">;</span>
 595 <span class="s">}</span>
 596 
 597 <span class="c"># Setup regions data for performing residue frequency analysis...</span>
<a name="SetupSequenceRegionsData-"></a> 598 <span class="k">sub </span><span class="m">SetupSequenceRegionsData</span> <span class="s">{</span>
 599   <span class="k">my</span><span class="s">(</span><span class="i">$Index</span><span class="cm">,</span> <span class="i">$RefereceSequence</span><span class="cm">,</span> <span class="i">$RefereceSequenceLen</span><span class="cm">,</span> <span class="i">$RegionID</span><span class="cm">,</span> <span class="i">$StartResNum</span><span class="cm">,</span> <span class="i">$EndResNum</span><span class="cm">,</span> <span class="i">$RegionIndex</span><span class="cm">,</span> <span class="i">$RegionNum</span><span class="cm">,</span> <span class="i">$NoGapResNum</span><span class="cm">,</span> <span class="i">$ResNum</span><span class="cm">,</span> <span class="i">$ResIndex</span><span class="cm">,</span> <span class="i">$Residue</span><span class="cm">,</span> <span class="i">$ResidueCode</span><span class="cm">,</span> <span class="i">@RefereceSequenceRegions</span><span class="s">)</span><span class="sc">;</span>
 600 
 601 
 602   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 603   <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 604 
 605   <span class="j">FILELIST:</span> <span class="k">for</span> <span class="i">$Index</span> <span class="s">(</span><span class="n">0</span> .. <span class="i">$#SequenceFilesList</span><span class="s">)</span> <span class="s">{</span>
 606     <span class="i">%</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">IsGap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 607     <span class="i">%</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">NoGapToGap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 608     <span class="i">%</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">GapToNoGap</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 609     <span class="i">%</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$Index</span>]} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 610     <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$Index</span>]{<span class="w">RegionIDs</span>}} = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 611 
 612     <span class="k">if</span> <span class="s">(</span>!<span class="i">$SequenceFilesInfo</span>{<span class="w">FilesOkay</span>}[<span class="i">$Index</span>]<span class="s">)</span> <span class="s">{</span>
 613       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 614     <span class="s">}</span>
 615     <span class="k">if</span> <span class="s">(</span>!<span class="i">$OptionsInfo</span>{<span class="w">PerformResidueFrequencyAnalysis</span>}<span class="s">)</span> <span class="s">{</span>
 616       <span class="k">next</span> <span class="j">FILELIST</span><span class="sc">;</span>
 617     <span class="s">}</span>
 618 
 619     <span class="i">$RefereceSequence</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequence</span>}[<span class="i">$Index</span>]<span class="sc">;</span>
 620     <span class="i">$RefereceSequenceLen</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceLen</span>}[<span class="i">$Index</span>]<span class="sc">;</span>
 621 
 622     <span class="c"># Setup residue number mapping and gap status for refernece sequence...</span>
 623     <span class="i">$NoGapResNum</span> = <span class="n">0</span><span class="sc">;</span>
 624     <span class="i">$ResNum</span> = <span class="n">0</span><span class="sc">;</span>
 625     <span class="k">for</span> <span class="i">$ResIndex</span> <span class="s">(</span><span class="n">0</span> .. <span class="s">(</span><span class="i">$RefereceSequenceLen</span> - <span class="n">1</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 626       <span class="i">$ResNum</span>++<span class="sc">;</span>
 627       <span class="i">$Residue</span> = <span class="k">substr</span><span class="s">(</span><span class="i">$RefereceSequence</span><span class="cm">,</span> <span class="i">$ResIndex</span><span class="cm">,</span> <span class="n">1</span><span class="s">)</span><span class="sc">;</span>
 628       <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">IsGap</span>}{<span class="i">$ResNum</span>} = <span class="n">1</span><span class="sc">;</span>
 629       <span class="k">if</span> <span class="s">(</span>!<span class="i">IsGapResidue</span><span class="s">(</span><span class="i">$Residue</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 630         <span class="i">$NoGapResNum</span>++<span class="sc">;</span>
 631         <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">IsGap</span>}{<span class="i">$ResNum</span>} = <span class="n">0</span><span class="sc">;</span>
 632         <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">NoGapToGap</span>}{<span class="i">$NoGapResNum</span>} = <span class="i">$ResNum</span><span class="sc">;</span>
 633         <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">GapToNoGap</span>}{<span class="i">$ResNum</span>} = <span class="i">$NoGapResNum</span><span class="sc">;</span>
 634       <span class="s">}</span>
 635     <span class="s">}</span>
 636     <span class="c"># Map residue numbers for specified regions to the reference residue in input sequence/alignment files</span>
 637     <span class="i">$RegionNum</span> = <span class="n">0</span><span class="sc">;</span>
 638     <span class="i">@RefereceSequenceRegions</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 639     <span class="k">push</span> <span class="i">@RefereceSequenceRegions</span><span class="cm">,</span> <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceRegions</span>}[<span class="i">$Index</span>]}<span class="sc">;</span>
 640     <span class="k">for</span> <span class="s">(</span><span class="i">$RegionIndex</span> = <span class="n">0</span><span class="sc">;</span> <span class="i">$RegionIndex</span> &lt;= <span class="i">$#RefereceSequenceRegions</span><span class="sc">;</span> <span class="i">$RegionIndex</span> += <span class="n">2</span><span class="s">)</span> <span class="s">{</span>
 641       <span class="i">$StartResNum</span> = <span class="i">$RefereceSequenceRegions</span>[<span class="i">$RegionIndex</span>]<span class="sc">;</span>
 642       <span class="i">$EndResNum</span> = <span class="i">$RefereceSequenceRegions</span>[<span class="i">$RegionIndex</span> + <span class="n">1</span>]<span class="sc">;</span>
 643       <span class="i">$RegionNum</span>++<span class="sc">;</span>
 644       <span class="i">$RegionID</span> = <span class="q">&quot;Region${RegionNum}&quot;</span><span class="sc">;</span>
 645       <span class="k">if</span> <span class="s">(</span><span class="i">$OptionsInfo</span>{<span class="w">IgnoreGaps</span>}<span class="s">)</span> <span class="s">{</span>
 646         <span class="c"># Map residue numbers to the reference sequence residue numbers to account for any ignored gaps...</span>
 647         <span class="i">$StartResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">NoGapToGap</span>}{<span class="i">$StartResNum</span>}<span class="sc">;</span>
 648         <span class="i">$EndResNum</span> = <span class="i">$SequenceFilesInfo</span>{<span class="w">RefereceSequenceResNums</span>}[<span class="i">$Index</span>]{<span class="w">NoGapToGap</span>}{<span class="i">$EndResNum</span>}<span class="sc">;</span>
 649       <span class="s">}</span>
 650       <span class="k">push</span> <span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$Index</span>]{<span class="w">RegionIDs</span>}}<span class="cm">,</span> <span class="i">$RegionID</span><span class="sc">;</span>
 651       <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$Index</span>]{<span class="i">$RegionID</span>}{<span class="w">StartResNum</span>} = <span class="i">$StartResNum</span><span class="sc">;</span>
 652       <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$Index</span>]{<span class="i">$RegionID</span>}{<span class="w">EndResNum</span>} = <span class="i">$EndResNum</span><span class="sc">;</span>
 653 
 654       <span class="c"># Initialize data for residue codes...</span>
 655       <span class="k">for</span> <span class="i">$ResNum</span> <span class="s">(</span><span class="i">$StartResNum</span> .. <span class="i">$EndResNum</span><span class="s">)</span> <span class="s">{</span>
 656         <span class="k">for</span> <span class="i">$ResidueCode</span> <span class="s">(</span><span class="i">@</span>{<span class="i">$SequenceFilesInfo</span>{<span class="w">ResidueCodes</span>}[<span class="i">$Index</span>]}<span class="s">)</span> <span class="s">{</span>
 657           <span class="i">$SequenceFilesInfo</span>{<span class="w">RegionsData</span>}[<span class="i">$Index</span>]{<span class="i">$RegionID</span>}{<span class="w">Count</span>}{<span class="i">$ResNum</span>}{<span class="i">$ResidueCode</span>} = <span class="n">0</span><span class="sc">;</span>
 658         <span class="s">}</span>
 659       <span class="s">}</span>
 660     <span class="s">}</span>
 661   <span class="s">}</span>
 662 <span class="s">}</span>
 663 
 664 <span class="c"># Setup script usage  and retrieve command line arguments specified using various options...</span>
<a name="SetupScriptUsage-"></a> 665 <span class="k">sub </span><span class="m">SetupScriptUsage</span> <span class="s">{</span>
 666 
 667   <span class="c"># Retrieve all the options...</span>
 668   <span class="i">%Options</span> = <span class="s">(</span><span class="s">)</span><span class="sc">;</span>
 669   <span class="i">$Options</span>{<span class="w">ignoregaps</span>} = <span class="q">&#39;yes&#39;</span><span class="sc">;</span>
 670   <span class="i">$Options</span>{<span class="w">regionresiduesmode</span>} = <span class="q">&#39;None&#39;</span><span class="sc">;</span>
 671   <span class="i">$Options</span>{<span class="w">mode</span>} = <span class="q">&#39;PercentIdentityMatrix&#39;</span><span class="sc">;</span>
 672   <span class="i">$Options</span>{<span class="w">outdelim</span>} = <span class="q">&#39;comma&#39;</span><span class="sc">;</span>
 673   <span class="i">$Options</span>{<span class="w">precision</span>} = <span class="n">2</span><span class="sc">;</span>
 674   <span class="i">$Options</span>{<span class="w">quote</span>} = <span class="q">&#39;yes&#39;</span><span class="sc">;</span>
 675   <span class="i">$Options</span>{<span class="w">referencesequence</span>} = <span class="q">&#39;UseFirstSequenceID&#39;</span><span class="sc">;</span>
 676   <span class="i">$Options</span>{<span class="w">region</span>} = <span class="q">&#39;UseCompleteSequence&#39;</span><span class="sc">;</span>
 677 
 678   <span class="k">if</span> <span class="s">(</span>!<span class="i">GetOptions</span><span class="s">(</span>\<span class="i">%Options</span><span class="cm">,</span> <span class="q">&quot;help|h&quot;</span><span class="cm">,</span> <span class="q">&quot;ignoregaps|i=s&quot;</span><span class="cm">,</span> <span class="q">&quot;mode|m=s&quot;</span><span class="cm">,</span> <span class="q">&quot;outdelim=s&quot;</span><span class="cm">,</span> <span class="q">&quot;overwrite|o&quot;</span><span class="cm">,</span> <span class="q">&quot;precision|p=i&quot;</span><span class="cm">,</span> <span class="q">&quot;quote|q=s&quot;</span><span class="cm">,</span> <span class="q">&quot;referencesequence=s&quot;</span><span class="cm">,</span> <span class="q">&quot;region=s&quot;</span><span class="cm">,</span> <span class="q">&quot;regionresiduesmode=s&quot;</span><span class="cm">,</span> <span class="q">&quot;root|r=s&quot;</span><span class="cm">,</span> <span class="q">&quot;workingdir|w=s&quot;</span><span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 679     <span class="k">die</span> <span class="q">&quot;\nTo get a list of valid options and their values, use \&quot;$ScriptName -h\&quot; or\n\&quot;perl -S $ScriptName -h\&quot; command and try again...\n&quot;</span><span class="sc">;</span>
 680   <span class="s">}</span>
 681   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span>
 682     <span class="k">if</span> <span class="s">(</span>! <span class="k">-d</span> <span class="i">$Options</span>{<span class="w">workingdir</span>}<span class="s">)</span> <span class="s">{</span>
 683       <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{workingdir}, for option \&quot;-w --workingdir\&quot; is not a directory name.\n&quot;</span><span class="sc">;</span>
 684     <span class="s">}</span>
 685     <span class="k">chdir</span> <span class="i">$Options</span>{<span class="w">workingdir</span>} <span class="k">or</span> <span class="k">die</span> <span class="q">&quot;Error: Couldn&#39;t chdir $Options{workingdir}: $! \n&quot;</span><span class="sc">;</span>
 686   <span class="s">}</span>
 687   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">ignoregaps</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span>
 688     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{ignoregaps}, for option \&quot;-q --quote\&quot; is not valid. Allowed values: yes or no\n&quot;</span><span class="sc">;</span>
 689   <span class="s">}</span>
 690   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">regionresiduesmode</span>} !~ <span class="q">/^(AminoAcids|NucleicAcids|None)$/i</span><span class="s">)</span> <span class="s">{</span>
 691     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{regionresiduesmode}, for option \&quot;--regionresiduesmode\&quot; is not valid. Allowed values: AminoAcids, NucleicAcids or None\n&quot;</span><span class="sc">;</span>
 692   <span class="s">}</span>
 693   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">mode</span>} !~ <span class="q">/^(PercentIdentityMatrix|ResidueFrequencyAnalysis|All)$/i</span><span class="s">)</span> <span class="s">{</span>
 694     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{mode}, for option \&quot;-m --mode\&quot; is not valid. Allowed values: PercentIdentityMatrix, ResidueFrequencyAnalysis  or All\n&quot;</span><span class="sc">;</span>
 695   <span class="s">}</span>
 696   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">outdelim</span>} !~ <span class="q">/^(comma|semicolon|tab)$/i</span><span class="s">)</span> <span class="s">{</span>
 697     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{outdelim}, for option \&quot;--outdelim\&quot; is not valid. Allowed values: comma, tab, or semicolon\n&quot;</span><span class="sc">;</span>
 698   <span class="s">}</span>
 699   <span class="k">if</span> <span class="s">(</span><span class="i">$Options</span>{<span class="w">quote</span>} !~ <span class="q">/^(yes|no)$/i</span><span class="s">)</span> <span class="s">{</span>
 700     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{quote}, for option \&quot;-q --quote\&quot; is not valid. Allowed values: yes or no\n&quot;</span><span class="sc">;</span>
 701   <span class="s">}</span>
 702   <span class="k">if</span> <span class="s">(</span>!<span class="i">IsPositiveInteger</span><span class="s">(</span><span class="i">$Options</span>{<span class="w">precision</span>}<span class="s">)</span><span class="s">)</span> <span class="s">{</span>
 703     <span class="k">die</span> <span class="q">&quot;Error: The value specified, $Options{precision}, for option \&quot;-p --precision\&quot; is not valid. Allowed values: &gt; 0 \n&quot;</span><span class="sc">;</span>
 704   <span class="s">}</span>
 705 <span class="s">}</span>
 706 
<a name="EOF-"></a></pre>
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