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[ Quellcode: avogadro  ]

Paket: avogadro (1.2.0-3)

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.

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  • dep: libavogadro1 (= 1.2.0-3)
    Molecular Graphics and Modelling System (library)
  • dep: libc6 (>= 2.14) [amd64]
    GNU C Library: Shared libraries
    auch ein virtuelles Paket, bereitgestellt durch libc6-udeb
    dep: libc6 (>= 2.4) [i386]
  • dep: libgcc1 (>= 1:3.0)
    GCC support library
  • dep: libopenbabel4v5
    Chemical toolbox library
  • dep: libqt4-opengl (>= 4:4.5.3)
    Qt 4 OpenGL module
  • dep: libqtcore4 (>= 4:4.7.0~beta1)
    Qt 4 core module
  • dep: libqtgui4 (>= 4:4.6.1)
    Qt 4 GUI module
  • dep: libstdc++6 (>= 5.2)
    GNU Standard C++ Library v3
  • dep: libx11-6
    X11 client-side library
  • rec: avogadro-data
    Molecular Graphics and Modelling System (Data Files)

avogadro herunterladen

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amd64 10.843,8 kB17511 kB [Liste der Dateien]
i386 10.852,9 kB17481 kB [Liste der Dateien]