MayaChemTools: Perl scripts, modules and classes for computational discovery needs

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

Visit www.MayaChemTools.org for further details.

Comment on MayaChemTools: Perl scripts, modules and classes for computational discovery needs

Replies are listed 'Best First'.
Re: MayaChemTools: Perl scripts, modules and classes for computational discovery needs by explorer (Chaplain) on Oct 15, 2008 at 21:35 UTC
No CPAN modules, no vote. Anonymous user, no vote. Today is a good day to die(). (First test Haiku)	[reply]
Re^2: MayaChemTools: Perl scripts, modules and classes for computational discovery needs by swampyankee (Parson) on Oct 15, 2008 at 23:54 UTC
It doesn't meet the basic 5-7-5 haiku rule (see http://volweb.utk.edu/school/bedford/harrisms/haiku.htm) Information about American English usage here and here. Floating point issues? Please read this before posting. — emc	[reply]
Re^3: MayaChemTools: Perl scripts, modules and classes for computational discovery needs by Erez (Priest) on Oct 16, 2008 at 08:42 UTC
I personally believe 5-7-5 is too verbose for Haiku when English is concerned. I suggest a more concise 3-5-3, or even 3-4-3, and recommend a bias toward compounded (even artificially) words. Stop saying 'script'. Stop saying 'line-noise'. We have nothing to lose but our metaphors.	[reply]