Skip to content
Sections
>> Trisquel >> 软件包 >> nabia >> libs >> libopenbabel6
nabia  ]
[ 源代码: openbabel  ]

软件包: libopenbabel6 (3.0.0+dfsg-3ubuntu3)

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.

其他与 libopenbabel6 有关的软件包

  • 依赖
  • 推荐
  • 建议
  • dep: libc6 (>= 2.29)
    GNU C Library: Shared libraries
    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) [amd64]
    GCC support library
    dep: libgcc-s1 (>= 3.5) [armhf]
  • dep: libgomp1 (>= 4.9)
    GCC OpenMP (GOMP) support library
  • dep: libschroedinger-maeparser1
    parser for Schrödinger Maestro files
  • dep: libstdc++6 (>= 9)
    GNU Standard C++ Library v3
  • dep: libxml2 (>= 2.7.4)
    GNOME XML library
  • dep: zlib1g (>= 1:1.1.4)
    compression library - runtime

下载 libopenbabel6

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 3,484.4 kB16423 kB [文件列表]
armhf 3,150.1 kB12184 kB [文件列表]