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, topological pharmacophore atom pairs, and topological pharmacophore atom triplets
- Calculation of similarity matrices using a variety of similarity and distance coefficients
Review the documentation for further details.
MayaChemTools is free software; you can redistribute it and/or modify it under
the terms of the
GNU LGPL as published by the Free Software Foundation.
