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

by Anonymous Monk
on Oct 15, 2008 at 18:37 UTC ( #717308=perlnews: print w/ replies, xml ) Need Help??

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
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)

        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.

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