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[ Источник: openbabel  ]

Пакет: openbabel-gui (2.3.2+dfsg-3build1)

Chemical toolbox utilities (graphical user interface)

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 openbabel GUI based on wxWidgets.

Другие пакеты, относящиеся к openbabel-gui

  • зависимости
  • рекомендации
  • предложения
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    также виртуальный пакет, предоставляемый libc6-udeb
    dep: libc6 (>= 2.4) [i386]
  • dep: libgcc1 (>= 1:3.0)
    GCC support library
  • dep: libopenbabel4v5
    Chemical toolbox library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: libwxbase3.0-0v5 (>= 3.0.3.1+dfsg)
    wxBase library (runtime) - non-GUI support classes of wxWidgets toolkit
  • dep: libwxgtk3.0-0v5 (>= 3.0.3.1+dfsg)
    wxWidgets Cross-platform C++ GUI toolkit (GTK+ runtime)

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amd64 83,0 Кб358 Кб [список файлов]
i386 85,1 Кб289 Кб [список файлов]