MayaChemTools

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 path lengths, MACCS keys, extended connectivity, atom neighborhoods, topological atom pairs, topological atom torsions, pharmacophore topological atom pairs, and pharmacophore topological atom triplets
  • Calculation of similarity matrices using a variety of similarity and distance coefficients

Last updated 23 Jun, 2009


User level: Intermediate

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LGPLv3

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Versions

6.0
5.0

2.0 released on 2005-09-21

User Community and Support

http://www.mayachemtools.org/docs/html/index.html

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Please send comments on these web pages to bug-directory@fsf.org, send other questions to info@fsf.org.

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Permission is granted to copy, distribute, and/or modify this document under the terms of the GNU Free Documentation License, Version 1.2 or any later version published by the Free Software Foundation; with no Invariant Sections, with no Front-Cover Texts, and with no Back-Cover Texts.