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[ 源代码: openbabel  ]

软件包: 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.

其他与 openbabel-gui 有关的软件包

  • 依赖
  • 推荐
  • 建议
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    同时作为一个虚包由这些包填实: 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)

下载 openbabel-gui

下载可用于所有硬件架构的
硬件架构 软件包大小 安装后大小 文件
amd64 83.0 kB358 kB [文件列表]
i386 85.1 kB289 kB [文件列表]