MayaChemTools is a growing collection of Perl scripts, modules, and classes to support day-to-day computational drug discovery needs.
I've been working on its development over the last few years and try to do at least two releases every year. I usually announce its availability on Computational Chemistry List (CCL.net). However, I thought some of you might also be interested in the functionality available in MayaChemTools.
The current release includes the following functionality:
- 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
- Properties of periodic table elements, amino acids, and nucleic acids
- Elemental analysis
- Molecular fingerprints generation
- Molecular similarity matrix calculation
for further details.