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[ Source: openbabel  ]

Package: libopenbabel7 (3.1.1+dfsg-11 and others)

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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 libopenbabel7

Download for all available architectures
Architecture Version Package Size Installed Size Files
alpha (unofficial port) 3.1.1+dfsg-11 3,158.7 kB19,602.0 kB [list of files]
amd64 3.1.1+dfsg-11+b1 3,174.8 kB15,254.0 kB [list of files]
arm64 3.1.1+dfsg-11+b1 2,929.8 kB18,626.0 kB [list of files]
armel 3.1.1+dfsg-11+b1 2,846.7 kB13,295.0 kB [list of files]
armhf 3.1.1+dfsg-11+b1 2,877.3 kB11,510.0 kB [list of files]
hppa (unofficial port) 3.1.1+dfsg-11+b1 3,190.4 kB14,957.0 kB [list of files]
i386 3.1.1+dfsg-11+b1 3,293.0 kB14,857.0 kB [list of files]
ia64 (unofficial port) 3.1.1+dfsg-9 3,572.7 kB21,614.0 kB [list of files]
m68k (unofficial port) 3.1.1+dfsg-9+b1 3,011.1 kB14,341.0 kB [list of files]
mips64el 3.1.1+dfsg-11+b1 2,895.8 kB19,889.0 kB [list of files]
ppc64 (unofficial port) 3.1.1+dfsg-11+b1 3,198.8 kB20,603.0 kB [list of files]
ppc64el 3.1.1+dfsg-11+b1 3,256.9 kB20,029.0 kB [list of files]
riscv64 3.1.1+dfsg-11+b1 3,080.1 kB12,856.0 kB [list of files]
s390x 3.1.1+dfsg-11+b1 3,144.3 kB14,893.0 kB [list of files]
sh4 (unofficial port) 3.1.1+dfsg-11 3,546.0 kB18,229.0 kB [list of files]
sparc64 (unofficial port) 3.1.1+dfsg-11+b1 3,026.6 kB138,670.0 kB [list of files]
x32 (unofficial port) 3.1.1+dfsg-9+b1 3,098.1 kB14,231.0 kB [list of files]