软件包：python3-openbabel（3.1.1+dfsg-11 以及其他的）

[ 源代码： openbabel  ]

Chemical toolbox library (Python bindings)

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 Python binding.

其他与 python3-openbabel 有关的软件包

• dep: libc6 (>= 2.32)

  GNU C 语言运行库：共享库
  同时作为一个虚包由这些包填实： libc6-udeb

• dep: libgcc-s1 (>= 3.5)

  GCC 支持库

• dep: libopenbabel7 (>= 3.1.1+dfsg)

  Chemical toolbox library

• dep: libpython3.12t64 (>= 3.12.1)

  Shared Python runtime library (version 3.12)

• dep: libstdc++6 (>= 13.1)

  GNU 标准 C++ 库，第3版

• dep: python3

  interactive high-level object-oriented language (default python3 version)

  dep: python3 (<< 3.13)

  dep: python3 (>= 3.12~)

下载 python3-openbabel

下载可用于所有硬件架构的

硬件架构	版本	软件包大小	安装后大小	文件
armel	3.1.1+dfsg-11+b1	491.6 kB	3,230.0 kB	[文件列表]