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[ 原始碼: avogadro  ]

套件:avogadro(1.2.0-4 以及其他的)

avogadro 的相關連結

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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.

標籤: 領域: 化學, 使用者介面: Graphical User Interface, X 視窗系統, 角色: role::program, uitoolkit::qt, Purpose: Data Visualization, X 視窗系統: 應用程式

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下載 avogadro

下載可用於所有硬體架構的
硬體架構 版本 套件大小 安裝後大小 檔案
amd64 1.2.0-4+b2 10,865。3 kB17,541。0 kB [檔案列表]
arm64 1.2.0-4+b2 10,842。2 kB17,489。0 kB [檔案列表]
armhf 1.2.0-4+b2 10,828。8 kB17,283。0 kB [檔案列表]
i386 1.2.0-4+b2 10,876。1 kB17,511。0 kB [檔案列表]