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[ Source: openbabel  ]

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

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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.

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

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Download for all available architectures
Architecture Package Size Installed Size Files
amd64 696.6 kB4,282.0 kB [list of files]
arm64 618.6 kB4,287.0 kB [list of files]
armhf 631.0 kB3,119.0 kB [list of files]
i386 660.2 kB4,626.0 kB [list of files]