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[ Source: openbabel  ]

Package: libopenbabel7 (3.1.1+dfsg-6)

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Chemical toolbox library

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 shared library.

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Download for all available architectures
Architecture Package Size Installed Size Files
amd64 3,064.4 kB15,325.0 kB [list of files]
arm64 2,837.8 kB14,124.0 kB [list of files]
armel 2,758.8 kB13,560.0 kB [list of files]
armhf 2,788.3 kB11,470.0 kB [list of files]
i386 3,199.9 kB15,003.0 kB [list of files]
mips64el 2,852.9 kB16,030.0 kB [list of files]
mipsel 2,886.3 kB14,956.0 kB [list of files]
ppc64el 3,171.1 kB20,367.0 kB [list of files]
s390x 2,839.7 kB14,934.0 kB [list of files]