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[ Paquet source : openbabel  ]

Paquet : libchemistry-openbabel-perl (2.3.2+dfsg-3build1)

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 the Perl binding.

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Architecture Taille du paquet Espace occupé une fois installé Fichiers
amd64 647,1 ko4017 ko [liste des fichiers]
i386 606,4 ko4346 ko [liste des fichiers]