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| author | deepakjadmin |
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| date | Wed, 20 Jan 2016 09:23:18 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/docs/scripts/html/SortSDFiles.html Wed Jan 20 09:23:18 2016 -0500 @@ -0,0 +1,125 @@ +<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> <a href="./index.html" title="Table of Contents">TOC</a> <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> | <a href="./../pdf/SortSDFiles.pdf" title="PDF US Letter Size">PDF</a> | <a href="./../pdfgreen/SortSDFiles.pdf" title="PDF US Letter Size with narrow margins: www.changethemargins.com">PDFGreen</a> | <a href="./../pdfa4/SortSDFiles.pdf" title="PDF A4 Size">PDFA4</a> | <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: <Root>.<Ext>. Default new file +name: <InitialSDFileName>SortedByDataField.<Ext>. 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>, <a href="./MergeTextFilesWithSD.html">MergeTextFilesWithSD.pl</a>, <a href="./SplitSDFiles.html">SplitSDFiles.pl</a>, <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> </p><p> </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> <a href="./index.html" title="Table of Contents">TOC</a> <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>