Package: libopenbabel7 (3.1.1+dfsg-9 and others) [debports]
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- Homepage [openbabel.sourceforge.net]
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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
Architecture | Version | Package Size | Installed Size | Files |
---|---|---|---|---|
m68k (unofficial port) | 3.1.1+dfsg-9+b1 | 3,011.1 kB | 14,341.0 kB | [list of files] |