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[ 原始碼: openbabel  ]

套件: openbabel-gui (3.0.0+dfsg-3ubuntu3)

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.

其他與 openbabel-gui 有關的套件

  • 依賴
  • 推薦
  • 建議
  • dep: libc6 (>= 2.14)
    GNU C Library: Shared libraries
    同時作為一個虛擬套件由這些套件提供: libc6-udeb
  • dep: libgcc-s1 (>= 3.0)
    GCC support library
  • dep: libopenbabel6 (>= 3.0.0+dfsg)
    Chemical toolbox library
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: libwxbase3.0-0v5 (>= 3.0.4+dfsg)
    wxBase library (runtime) - non-GUI support classes of wxWidgets toolkit
  • dep: libwxgtk3.0-gtk3-0v5 (>= 3.0.4+dfsg-10~)
    wxWidgets Cross-platform C++ GUI toolkit (GTK 3 runtime)

下載 openbabel-gui

下載可用於所有硬體架構的
硬體架構 套件大小 安裝後大小 檔案
amd64 91.6 kB421 kB [文件列表]