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[ 源代码: avogadro  ]

软件包:avogadro(1.97.0-1)

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Molecular Graphics and Modelling System

Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder.

Features include:

 * Molecular modeller with automatic force-field based geometry optimization
 * Molecular Mechanics including constraints and conformer searches
 * Visualization of molecular orbitals and general isosurfaces
 * Visualization of vibrations and plotting of vibrational spectra
 * Support for crystallographic unit cells
 * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry
   packages
 * Flexible plugin architecture and Python scripting

File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output.

标签: 领域: 化学, 用户接口: Graphical User Interface, X 窗口系统, 角色: role::program, uitoolkit::qt, Purpose: 数据可视化, X 窗口系统: 应用程序

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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 1,225.5 kB5,030.0 kB [文件列表]
arm64 1,214.6 kB5,030.0 kB [文件列表]
armel 1,205.4 kB5,029.0 kB [文件列表]
armhf 1,207.5 kB4,901.0 kB [文件列表]
i386 1,235.3 kB5,037.0 kB [文件列表]
mips64el 1,219.0 kB5,184.0 kB [文件列表]
mipsel 1,217.6 kB5,113.0 kB [文件列表]
ppc64el 1,226.2 kB5,222.0 kB [文件列表]
s390x 1,212.7 kB5,050.0 kB [文件列表]