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[ 源代码: openbabel  ]

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

libopenbabel-dev 的相关链接

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Debian 的资源:

下载源码包 openbabel

维护小组:

外部的资源:

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Chemical toolbox library (development files)

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 static library and the header files.

标签: 软件开发: C++ 开发, 函数库, 领域: 化学, 实做语言: implemented-in::c++, role::devel-lib, 角色: 程序, Purpose: 数据转换

其他与 libopenbabel-dev 有关的软件包

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下载 libopenbabel-dev

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 175.9 kB955.0 kB [文件列表]