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[ Källkod: openbabel  ]

Paket: libchemistry-openbabel-perl (3.1.1+dfsg-11 och andra)

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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.

Märken: Software Development: Perl Development, Bibliotek, Implemented in: implemented-in::c, implemented-in::perl, Role: Development Library

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Hämtningar för alla tillgängliga arkitekturer
Arkitektur Version Paketstorlek Installerad storlek Filer
armhf 3.1.1+dfsg-11+b1 626,9 kbyte3.080,0 kbyte [filförteckning]