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[ 源代码: avogadro  ]

软件包: avogadro (1.93.0-1)

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.

其他与 avogadro 有关的软件包

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  • rec: avogadro-utils
    Molecular Graphics and Modelling System (library)

下载 avogadro

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 822.7 kB1550 kB [文件列表]
armhf 811.6 kB1445 kB [文件列表]