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Пакунок: 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.

Інші пакунки пов'язані з avogadro

  • depends
  • recommends
  • suggests
  • rec: avogadro-utils
    Molecular Graphics and Modelling System (library)
  • rec: molequeue
    Desktop integration of high performance computing resources

Завантажити avogadro

Завантаження для всіх доступних архітектур
Архітектура Розмір пакунка Розмір після встановлення Файли
amd64 1,261.1 kB4986 kB [список файлів]
arm64 1,254.9 kB4962 kB [список файлів]
armhf 1,253.5 kB4873 kB [список файлів]
ppc64el 1,278.1 kB5126 kB [список файлів]