Package: libchemistry-openbabel-perl (2.4.1+dfsg-3)

[ Source: openbabel  ]

Chemical toolbox library (perl bindings)

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

 * Hydrogen addition and deletion
 * Support for Molecular Mechanics
 * Support for SMARTS molecular matching syntax
 * Automatic feature perception (rings, bonds, hybridization, aromaticity)
 * Flexible atom typer and perception of multiple bonds from atomic coordinates
 * Gasteiger-Marsili partial charge calculation

File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.

This package contains Chemistry::Openbabel, the Perl binding for Open Babel.

Tags: Software Development: Perl Development, Függvény-könyvtárak, Implemented in: implemented-in::c, implemented-in::perl, Role: Development Library

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• dep: libc6 (>= 2.4)

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• dep: libgcc1 (>= 1:3.0)

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• dep: libgomp1 (>= 4.2.1)

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• dep: libopenbabel5

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• dep: libperl5.28 (>= 5.28.0)

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• dep: libstdc++6 (>= 5.2)

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• dep: perl (>= 5.28.0-3)

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• dep: perlapi-5.28.0

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• dep: zlib1g (>= 1:1.1.4)

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