diff mayachemtool/mayachemtools/README.txt @ 0:68300206e90d draft default tip

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author deepakjadmin
date Thu, 05 Nov 2015 02:41:30 -0500
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+INTRODUCTION
+
+MayaChemTools is a growing collection of Perl scripts, modules, and classes
+to support day-to-day computational discovery needs.
+
+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.
+
+Review the documentation for further details.
+
+INSTALLATION
+
+1. Add <YOUR MAYACHEMTOOLS DIR>/bin to your PATH environment variable.
+2. And check to make sure PATH doesn't contain multiple entries for MayaChemTools
+   package, and all *.pl files in <YOUR MAYACHEMTOOLS DIR>/bin are executable.
+
+That's it. And you're all set to try out the various scripts.
+
+CAVEATS
+
+All output files generated by MayaChemTools package contain UNIX style new line
+character; you can modify it using ModifyNewLineChar.pl script.
+
+DEPENDENCIES
+
+Perl v5.8 or higher. Additional Perl modules required to use database scripts: DBI,
+DBD-mysql and/or DBD-Oracle. 
+
+SUPPORTED PLATFORMS
+
+Whatever Perl supports: www.cpan.org/ports/. It includes support for various
+flavors of UNIX, LINUX, Windows, and Mac operating systems running on all kinds
+of hardware platforms.
+
+PERL DOWNLOAD
+
+www.cpan.org
+
+FEEDBACK
+
+Manish Sud<msud@san.rr.com>
+
+COPYRIGHT & LICENSE
+
+Copyright (C) 2015 Manish Sud. All rights reserved.
+
+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.