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<h2>NAME</h2>
<p>SDToMolFiles.pl - Generate MDLMOL file(s) from SD file(s)</p>
<p>
</p>
<h2>SYNOPSIS</h2>
<p>SDToMolFiles.pl SDFile(s)...</p>
<p>SDToMolFiles.pl [<strong>-d, --DataField</strong> DataFieldName]
[<strong>-m, --mode</strong> DataField | MolName | RootPrefix] [<strong>-h, --help</strong>]
[<strong>-o, --overwrite</strong>] [<strong>-r, --root</strong> rootname]
[<strong>-w, --workingdir</strong> dirname] SDFile(s)...</p>
<p>
</p>
<h2>DESCRIPTION</h2>
<p>Generate MDLMOL file(s) from <em>SDFile(s)</em>. All header data labels and values in
SDFile(s) are simply ignored; other appopriate data from SDFile(s) is transferred to MDLMOL
files. Multiple <em>SDFile(s)</em> names are separated by spaces. The valid file extensions are
<em>.sdf</em> and <em>.sd</em>. All other file names are ignored. All the SD files in a current
directory can be specified either by <em>*.sdf</em> or the current directory name.</p>
<p>
</p>
<h2>OPTIONS</h2>
<dl>
<dt><strong><strong>-d, --DataField</strong> <em>DataFieldName</em></strong></dt>
<dd>
<p>Specify <em>SDFile(s)</em> datafield label name whose value is used for generation of MDLMOL
file names. Default value: <em>None</em>.</p>
</dd>
<dt><strong><strong>-h, --help</strong></strong></dt>
<dd>
<p>Print this help message.</p>
</dd>
<dt><strong><strong>-m, --mode</strong> <em>DataField | MolName | RootPrefix</em></strong></dt>
<dd>
<p>Specify how to generate MDLMOL file names: use a <em>SDFile(s)</em> datafield value; use
molname line from <em>SDFile(s)</em>; generate a sequential ID using root prefix specified
by <strong>-r, --root</strong> option.</p>
<p>Possible values: <em>DataField | MolName | RootPrefix | RootPrefix</em>.
Default: <em>RootPrefix</em>.</p>
<p>For empty <em>MolName</em> and <em>DataField</em> values during these specified modes, file
name is automatically generated using <em>RootPrefix</em>.</p>
<p>For <em>RootPrefix</em> value of <strong>-m, --mode</strong> option, MDLMOL file names are generated
using by appending compound record number to value of <strong>-r, --root</strong> option. For
example: <em>RootName</em>Cmd&lt;RecordNumber&gt;.mol.</p>
<p>Allowed characters in file names are: a-zA-Z0-9_. All other characters in datafield
values, molname line, and root prefix are ignore during generation of file names.</p>
</dd>
<dt><strong><strong>-o, --overwrite</strong></strong></dt>
<dd>
<p>Overwrite existing files.</p>
</dd>
<dt><strong><strong>-r, --root</strong> <em>rootname</em></strong></dt>
<dd>
<p>Specify root name to used during <em>RootPrefix</em> <strong>-m, --mode</strong> option value.
New MDLMOL file names are generated using the root: &lt;Root&gt;Cmpd&lt;RecordNumber&gt;.mol
Default for new file names: &lt;InitialSDFileName&gt;Cmpd&lt;RecordNumber&gt;.mol. This option
is ignored for multiple input files.</p>
</dd>
<dt><strong><strong>-w, --workingdir</strong> <em>dirname</em></strong></dt>
<dd>
<p>Location of working directory. Default: current directory.</p>
</dd>
</dl>
<p>
</p>
<h2>EXAMPLES</h2>
<p>To generate MDLMOL files from Sample1*.sdf and Sample2*.sd files, type:</p>
<div class="ExampleBox">
    % SDToMolFiles.pl -o Sample1*.sdf Sample2*.sd</div>
<p>To generate Sample*.mol files from Sample1.sdf, type:</p>
<div class="ExampleBox">
    % SDToMolFiles.pl -r Sample -o Sample1.sdf</div>
<p>To generate MOL files from Sample1.sdf using molname line data for generating
MOL file names, type:</p>
<div class="ExampleBox">
    % SDToMolFiles.pl -m MolName -r Sample -o Sample1.sdf</div>
<p>To generate MOL files from Sample1.sdf using a specific data field values for
generating MOL file names, type:</p>
<div class="ExampleBox">
    % SDToMolFiles.pl -m DataField --DataField MolID -r Sample
      -o Sample1.sdf</div>
<p>
</p>
<h2>AUTHOR</h2>
<p>
</p>
<h2>AUTHOR</h2>
<p><a href="mailto:msud@san.rr.com">Manish Sud</a></p>
<p>
</p>
<h2>SEE ALSO</h2>
<p><a href="./InfoSDFiles.html">InfoSDFiles.pl</a>,&nbsp<a href="./MolFilesToSD.html">MolFilesToSD.pl</a>
</p>
<p>
</p>
<h2>COPYRIGHT</h2>
<p>Copyright (C) 2015 Manish Sud. All rights reserved.</p>
<p>This file is part of MayaChemTools.</p>
<p>MayaChemTools is free software; you can redistribute it and/or modify it under
the terms of the GNU Lesser General Public License as published by the Free
Software Foundation; either version 3 of the License, or (at your option)
any later version.</p>
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