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| − | {{Entry
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| − | |Name=MayaChemTools
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| − | |Short description=MayaChemTools is a growing collection of Perl scripts to support day-to-day computational discovery needs.
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| − | |Full description=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:
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| − | * Manipulation of SD, CSV/TSV, Sequence/Alignments, and PDB files
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| − | * Analysis of data in SD, CSV/TSV, and Sequence/Alignments files
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| − | * Information about data in SD, CSV/TSV, Sequence/Alignments, PDB, and fingerprints files
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| − | * Exporting data from Oracle and MySQL tables into text files
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| − | * Properties of periodic table elements, amino acids, and nucleic acids
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| − | * Generation of fingerprints corresponding to atom neighborhoods, atom types, E-state indicies, extended connectivity, MACCS keys, path lengths, topological atom pairs, topological atom triplets, topological atom torsions, topological pharmacophore atom pairs, and topological pharmacophore atom triplets
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| − | * Generation of fingerprints with atom types corresponding to atomic invariants, DREIDING, E-state, functional class, MMFF94, SLogP, SYBYL, TPSA and UFF
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| − | * Calculation of similarity matrices using a variety of similarity and distance coefficients
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| − | * Calculation of physicochemical properties including rotatable bonds, van der Waals molecular volume, hydrogen bond donors and acceptors, logP (SLogP), molar refractivity (SMR), topological polar surface area (TPSA), and so on
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| − | |User level=intermediate
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| − | |Status=Live
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| − | |Component programs=
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| − | |Homepage URL=http://www.mayachemtools.org
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| − | |VCS checkout command=
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| − | |Computer languages=Perl
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| − | |Documentation note=http://www.mayachemtools.org/docs/html/index.html
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| − | |Paid support=msud@san.rr.com
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| − | |IRC help=
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| − | |IRC general=
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| − | |IRC development=
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| − | |Related projects=
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| − | |Keywords=chemistry,Cheminformatics,CSV/TSV files,SD files
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| − | |Is GNU=n
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| − | |Last review by=Manish Sud
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| − | |Last review date=2010-07-12
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| − | |Submitted by=Database conversion
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| − | |Submitted date=2011-04-01
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| − | |Version identifier=7.0
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| − | |Version date=2010-07-05
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| − | |Version status=stable
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| − | |Version download=http://www.mayachemtools.org/download/mayachemtools.tar.bz2
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| − | |License verified date=2010-07-12
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| − | |Version comment=
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| − | }}
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| − | {{Person
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| − | |Role=Maintainer
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| − | |Real name=Manish Sud
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| − | |Email=msud@san.rr.com
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| − | |Resource URL=
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| − | }}
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| − | {{Resource
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| − | |Resource audience=Bug Tracking,Developer,Help,Support
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| − | |Resource kind=E-mail
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| − | |Resource URL=mailto:msud@san.rr.com
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| − | }}
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| − | {{Software category
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| − | |Interface=command-line
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| − | |Science=chemistry
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| − | |Use=science
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| − | }}
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| − | {{Project license
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| − | |License=LGPLv3
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| − | |License verified by=Kelly Hopkins
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| − | |License verified date=2010-07-12
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| − | }}
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