Пакет: openbabel-dbg (2.4.1+dfsg-3)

[ Источник: openbabel  ]

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.

Теги: Роль: Отладочные символы

Другие пакеты, относящиеся к openbabel-dbg

• dep: openbabel (= 2.4.1+dfsg-3)

  Chemical toolbox utilities (cli)

  или openbabel-gui (= 2.4.1+dfsg-3)

  Chemical toolbox utilities (graphical user interface)

  или libopenbabel5 (= 2.4.1+dfsg-3)

  Chemical toolbox library

  или python-openbabel (= 2.4.1+dfsg-3)

  Chemical toolbox library (python bindings)

  или libchemistry-openbabel-perl (= 2.4.1+dfsg-3)

  Chemical toolbox library (perl bindings)

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