套件：openbabel-gui（3.1.1+dfsg-9 以及其他的）

[ 原始碼： openbabel  ]

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.

標籤: 使用者介面: Graphical User Interface, X 視窗系統, 角色: role::program, uitoolkit::wxwidgets, X 視窗系統: 應用程式

其他與 openbabel-gui 有關的套件

• dep: libc6 (>= 2.34)

  GNU C 函式庫：共用函式庫
  同時作為一個虛擬套件由這些套件填實： libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC 支援函式庫

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libstdc++6 (>= 5.2)

  GNU Standard C++ Library v3

• dep: libwxbase3.2-1 (>= 3.2.1+dfsg)

  wxBase library (runtime) - non-GUI support classes of wxWidgets toolkit

• dep: libwxgtk3.2-1 (>= 3.2.1+dfsg-2)

  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	版本	套件大小	安裝後大小	檔案
arm64	3.1.1+dfsg-9+b3	80。9 kB	362。0 kB	[檔案列表]