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<h2>Introduction</h2>
<p></p>
<p>MayaChemTools is a growing collection of Perl scripts, modules, and classes to support day-to-day computational discovery needs. </p>
<p>The current release of MayaChemTools provides command line scripts for the following tasks: Manipulation of SD, CSV/TSV, Sequence/Alignments, and PDB files; Analysis of data in SD, CSV/TSV, and Sequence/Alignments files; Information about data in SD, CSV/TSV, Sequence/Alignments, PDB, and fingerprints files; Exporting data from Oracle and MySQL tables into text files Properties of periodic table elements, amino acids, and nucleic acids; Elemental analysis;Generation of fingerprints corresponding to atom neighborhoods, atom types, E-state indicies, extended connectivity, MACCS keys, path lengths, topological atom pairs, topological atom triplets, topological atom torsions, topological pharmacophore atom pairs, and topological pharmacophore atom triplets; Generation of fingerprints with atom types corresponding to atomic invariants, DREIDING, E-state, functional class, MMFF94, SLogP, SYBYL, TPSA and UFF; Calculation of similarity matrices using a variety of similarity and distance coefficients; Calculation of physicochemical properties including rotatable bonds, van der Waals molecular volume, hydrogen bond donors, hydrogen bond acceptors, SLogP, TPSA, molecular complexity and so on; Similarity searching using fingerprints. </p>
<p>Review the documentation for further details. </p>
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<h2>Installation</h2>
<p></p>
<p>
1. Add &lt;YOUR MAYACHEMTOOLS DIR&gt;/bin to your PATH environment variable. <br \>
2. And check to make sure PATH doesn't contain multiple entries for MayaChemTools    package, and all *.pl files in &lt;YOUR MAYACHEMTOOLS DIR&gt;/bin are executable. </p>
<p>That's it. And you're all set to try out the various scripts. </p>
<p></p>
<h2>Caveats</h2>
<p></p>
<p>All output files generated by MayaChemTools package contain UNIX style new line character; you can modify it using ModifyNewLineChar.pl script. </p>
<p></p>
<h2>Dependencies</h2>
<p></p>
<p>Perl v5.8 or higher. Additional Perl modules required to use database scripts: DBI, DBD-mysql and/or DBD-Oracle.  </p>
<p></p>
<h2>Supported Platforms</h2>
<p></p>
<p>Whatever Perl supports: <a href="http://www.cpan.org/ports/">www.cpan.org/ports/</a>. It includes support for various flavors of UNIX, LINUX, Windows, and Mac operating systems running on all kinds of hardware platforms. </p>
<p></p>
<h2>Perl Download</h2>
<p></p>
<p><p><a href="http://www.cpan.org">www.cpan.org</a></p>
</p>
<p></p>
<h2>Feedback</h2>
<p></p>
<p><p>Manish Sud &lt;<a href="mailto:msud@san.rr.com">msud@san.rr.com</a>&gt;</p>
</p>
<p></p>
<h2>Copyright & License</h2>
<p></p>
<p>Copyright (C) 2015 Manish Sud. All rights reserved. </p>
<p>MayaChemTools is  free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License. Please see GNULICENSE.txt file for additional information. </p>
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