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

User Rating:

Homepage

License(s) :

LGPLv3

Rate it!

 

About

Leadership

Versions

6.0
5.0

2.0 released on 2005-09-21

User Community and Support

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

General Resources
Announcement Resources
Support Resources

Development

Developer Resources
Bug Tracking Resources
 

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

Copyright © 2000 - 2010 Free Software Foundation, Inc., 51 Franklin Street, 5th Floor, Boston, MA 02110-1301, USA

The copyright licensing notice below applies to this text. Any software described in this text has its own copyright notice and license, which can usually be found in the distribution itself.

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.