Paket: avogadro (1.100.0-2)

[ Kaynak: 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.

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

avogadro ile İlgili Diğer Paketler

• dep: libavogadro2-1t64 (>= 1.100.0)

  Molecular Graphics and Modelling System (library)

• dep: libc6 (>= 2.34)

  GNU C Library: Shared libraries
  ayrıca şunun tarafından sağlanan bir sanal paket libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC support library

• dep: libqt6core6t64 (>= 6.7.2)

  Qt 6 core module

• dep: libqt6gui6 (>= 6.1.2)

  Qt 6 GUI module

• 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 Standard C++ Library v3

• rec: avogadro-utils

  Molecular Graphics and Modelling System (library)

• rec: molequeue

  Desktop integration of high performance computing resources

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Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
ppc64el	967,4 kB	2.480,0 kB	[dosya listesi]