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Paket: openbabel-dbg (2.3.2+dfsg-3build1)

Chemical toolbox library (debugging symbols)

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 debugging symbols.

Andere Pakete mit Bezug zu openbabel-dbg

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  • dep: openbabel (= 2.3.2+dfsg-3build1)
    Chemical toolbox utilities (cli)
    oder openbabel-gui (= 2.3.2+dfsg-3build1)
    Chemical toolbox utilities (graphical user interface)
    oder libopenbabel4v5 (= 2.3.2+dfsg-3build1)
    Chemical toolbox library
    oder python-openbabel (= 2.3.2+dfsg-3build1)
    Chemical toolbox library (python bindings)
    oder libchemistry-openbabel-perl (= 2.3.2+dfsg-3build1)
    Chemical toolbox library (perl bindings)

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