软件包：libopenbabel7（3.1.1+dfsg-11 以及其他的）

[ 源代码： openbabel  ]

Chemical toolbox library

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 shared library.

标签: 角色: 共用函数库

其他与 libopenbabel7 有关的软件包

• dep: libc6 (>= 2.38)

  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: libcairo2 (>= 1.2.4)

  Cairo 2D vector graphics library

• dep: libgcc-s1 (>= 3.4)

  GCC 支持库

• dep: libgomp1 (>= 4.9)

  GCC OpenMP（GOMP）支持库

• dep: libinchi1.07 (>= 1.07.1+dfsg)

  International Chemical Identifier (InChI) algorithm (library)

• dep: libmaeparser1 (>= 1.3.1)

  parser for Schrödinger Maestro files

• dep: libstdc++6 (>= 13.1)

  GNU 标准 C++ 库，第3版

• dep: libxml2 (>= 2.7.4)

  GNOME XML 库

• dep: zlib1g (>= 1:1.1.4)

  压缩库 - 运行时

下载 libopenbabel7

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
amd64	3.1.1+dfsg-11+b1	3,174.8 kB	15,254.0 kB	[文件列表]