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Пакет: avogadro (1.95.1-2)

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.

Другие пакеты, относящиеся к avogadro

  • зависимости
  • рекомендации
  • предложения
  • dep: libavogadro2-1 (>= 1.95.1)
    Molecular Graphics and Modelling System (library)
  • dep: libc6 (>= 2.34)
    GNU C Library: Shared libraries
    также виртуальный пакет, предоставляемый libc6-udeb
  • dep: libgcc-s1 (>= 3.3.1)
    GCC support library
  • dep: libqt5core5a (>= 5.15.1)
    Qt 5 core module
  • dep: libqt5gui5 (>= 5.7.0)
    Qt 5 GUI module
    или libqt5gui5-gles (>= 5.7.0)
    Qt 5 GUI module — OpenGL ES variant
  • dep: libqt5network5 (>= 5.0.2)
    Qt 5 network module
  • dep: libqt5widgets5 (>= 5.6.0~beta)
    Qt 5 widgets module
  • dep: libstdc++6 (>= 5.2)
    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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arm64 1 254,9 Кб4962 Кб [список файлов]