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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; Fingerprints generation; Similarity matrix calculation
Review the documentation for further details.
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.
All output files generated by MayaChemTools package contain UNIX style new line character; you can modify it using ModifyNewLineChar.pl script.
Perl v5.8 or higher. Additional Perl modules required to use database scripts: DBI, DBD-mysql and/or DBD-Oracle.
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.
Manish Sud <msud@san.rr.com>
Copyright (C) 2004-2008 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.
