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[ Източник: openbabel  ]

Пакет: 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.

Други пакети, свързани с openbabel-dbg

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

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