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[ Kaynak: avogadro  ]

Paket: avogadro (1.93.0-2)

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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.

Etiketler: Alan: Kimya, Kullanıcı Arayüzü: Graphical User Interface, X Pencere Sistemi, Rol: role::program, uitoolkit::qt, Amaç: Veri Görselleştirme, X Pencere Sistemi: Uygulama

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Mimari Paket Boyutu Kurulu Boyut Dosyalar
mipsel 824,1 kB1.589,0 kB [dosya listesi]