软件包：avogadro（1.100.0-2）

[ 源代码： avogadro  ]

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

其他与 avogadro 有关的软件包

• dep: libavogadro2-1t64 (>= 1.100.0)

  Molecular Graphics and Modelling System (library)

• dep: libc6 (>= 2.34)

  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: libgcc-s1 (>= 3.0)

  GCC 支持库

• dep: libqt6core6t64 (>= 6.7.2)

  Qt 6 core module

• dep: libqt6gui6 (>= 6.1.2)

  Qt 6 图形界面模块

• dep: libqt6network6 (>= 6.1.2)

  Qt 6 network module

• dep: libqt6opengl6 (>= 6.1.2)

  Qt 6 OpenGL module

• dep: libqt6openglwidgets6 (>= 6.1.2)

  Qt 6 OpenGL widgets module

• dep: libqt6widgets6 (>= 6.1.2)

  Qt 6 widgets module

• dep: libstdc++6 (>= 13.1)

  GNU 标准 C++ 库，第3版

• rec: avogadro-utils

  Molecular Graphics and Modelling System (library)

• rec: molequeue

  Desktop integration of high performance computing resources

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
ppc64el	967.4 kB	2,480.0 kB	[文件列表]