Mercurial > repos > deepakjadmin > mayatool3_test3

<html>
<head>
<title>MayaChemTools:Documentation:SortSDFiles.pl</title>
<meta http-equiv="content-type" content="text/html;charset=utf-8">
<link rel="stylesheet" type="text/css" href="../../css/MayaChemTools.css">
</head>
<body leftmargin="20" rightmargin="20" topmargin="10" bottommargin="10">
<br/>
<center>
<a href="http://www.mayachemtools.org" title="MayaChemTools Home"><img src="../../images/MayaChemToolsLogo.gif" border="0" alt="MayaChemTools"></a>
</center>
<br/>
<div class="DocNav">
<table width="100%" border=0 cellpadding=0 cellspacing=2>
<tr align="left" valign="top"><td width="33%" align="left"><a href="./SimilaritySearchingFingerprints.html" title="SimilaritySearchingFingerprints.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./SortTextFiles.html" title="SortTextFiles.html">Next</a></td><td width="34%" align="middle"><strong>SortSDFiles.pl</strong></td><td width="33%" align="right"><a href="././code/SortSDFiles.html" title="View source code">Code</a>&nbsp;|&nbsp;<a href="./../pdf/SortSDFiles.pdf" title="PDF US Letter Size">PDF</a>&nbsp;|&nbsp;<a href="./../pdfgreen/SortSDFiles.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a>&nbsp;|&nbsp;<a href="./../pdfa4/SortSDFiles.pdf" title="PDF A4 Size">PDFA4</a>&nbsp;|&nbsp;<a href="./../pdfa4green/SortSDFiles.pdf" title="PDF A4 Size with narrow margins: www.changethemargins.com">PDFA4Green</a></td></tr>
</table>
</div>
<p>
</p>
<h2>NAME</h2>
<p>SortSDFiles.pl - Sort SDFile(s) using values for a data field</p>
<p>
</p>
<h2>SYNOPSIS</h2>
<p>SortSDFiles.pl SDFile(s)...</p>
<p>SortSDFiles.pl [<strong>-d, --detail</strong> infolevel] [<strong>-h, --help</strong>] [<strong>-k, --key</strong> <em>SD data field name</em>]
[<strong>--keydata</strong> numeric | alphanumeric] [<strong>-o, --overwrite</strong>] [<strong>-r, --root</strong> rootname]
[<strong>-s, --sort</strong> ascending | descending] [<strong>-w, --workingdir</strong> dirname] SDFile(s)...</p>
<p>
</p>
<h2>DESCRIPTION</h2>
<p>Sort <em>SDFile(s)</em> using values for a specified data field name key. Only one SD
data field name key can be specified for sorting. In an event of conflict during sorting
process, two similar values for a SD data field name key are simply transferred to
output files in order of their presence in input files. Additionally, compound records
with no data field name, empty field values, or field values containing multiple lines
are simply placed at the end. The file names are separated by space.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, --detail</strong> <em>infolevel</em></strong></dt>
<dd>
<p>Level of information to print about compound records being ignored. Default: <em>1</em>. Possible
values: <em>1, 2 or 3</em>.</p>
</dd>
<dt><strong><strong>-h, --help</strong></strong></dt>
<dd>
<p>Print this help message.</p>
</dd>
<dt><strong><strong>-k, --key</strong> <em>SD data field name</em></strong></dt>
<dd>
<p><em>SDFile(s)</em> data field name used for sorting compound records. Default value: <em>first
data field name</em>. Compound records with no <em>sdfieldname</em>, empty field values, field
values containing multiple lines, or field values inappropriate for sorting are simply placed
at the end.</p>
</dd>
<dt><strong><strong>--keydata</strong> <em>numeric | alphanumeric</em></strong></dt>
<dd>
<p>Data type for <em>sdfieldname</em> values. Possible values: <em>numeric or alphanumeric</em>. Default
value: <em>numeric</em>. For <em>alphanumeric</em> data values, comparison is case insensitive.</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>New SD file name is generated using the root: &lt;Root&gt;.&lt;Ext&gt;. Default new file
name: &lt;InitialSDFileName&gt;SortedByDataField.&lt;Ext&gt;. This option is ignored for multiple
input files.</p>
</dd>
<dt><strong><strong>-s, --sort</strong> <em>ascending | descending</em></strong></dt>
<dd>
<p>Sorting order for SD data field values. Possible values: <em>ascending or descending</em>.
Default value: <em>ascending</em>.</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 perform numerical sort in ascending order using first data field values and
generate a new SD file NewSample1.sdf, type:</p>
<div class="ExampleBox">
    % SortSDFiles.pl -o -r NewSample1 Sample1.sdf</div>
<p>To perform numerical sort in descending order using MolWeight data field and
generate a new SD text file NewSample1.sdf, type:</p>
<div class="ExampleBox">
    % SortSDFiles.pl -k MolWeight --keydata numeric -s descending
      -r NewSample1 -o Sample1.sdf</div>
<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="./JoinSDFiles.html">JoinSDFiles.pl</a>,&nbsp<a href="./MergeTextFilesWithSD.html">MergeTextFilesWithSD.pl</a>,&nbsp<a href="./SplitSDFiles.html">SplitSDFiles.pl</a>,&nbsp<a href="./SDFilesToHTML.html">SDFilesToHTML.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>
<p>&nbsp</p><p>&nbsp</p><div class="DocNav">
<table width="100%" border=0 cellpadding=0 cellspacing=2>
<tr align="left" valign="top"><td width="33%" align="left"><a href="./SimilaritySearchingFingerprints.html" title="SimilaritySearchingFingerprints.html">Previous</a>&nbsp;&nbsp;<a href="./index.html" title="Table of Contents">TOC</a>&nbsp;&nbsp;<a href="./SortTextFiles.html" title="SortTextFiles.html">Next</a></td><td width="34%" align="middle"><strong>March 29, 2015</strong></td><td width="33%" align="right"><strong>SortSDFiles.pl</strong></td></tr>
</table>
</div>
<br />
<center>
<img src="../../images/h2o2.png">
</center>
</body>
</html>
author	deepakjadmin
date	Wed, 20 Jan 2016 11:55:01 -0500
parents
children