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[ Source: openbabel  ]

Package: python3-openbabel (3.1.1+dfsg-6)

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Chemical toolbox library (Python 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 Python binding.

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Architecture Package Size Installed Size Files
amd64 552.0 kB3,402.0 kB [list of files]
arm64 511.3 kB3,386.0 kB [list of files]
armel 485.3 kB3,105.0 kB [list of files]
armhf 499.9 kB2,645.0 kB [list of files]
i386 559.1 kB3,372.0 kB [list of files]
mips64el 437.5 kB3,862.0 kB [list of files]
mipsel 439.2 kB3,664.0 kB [list of files]
ppc64el 562.7 kB3,994.0 kB [list of files]
s390x 501.6 kB3,454.0 kB [list of files]