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Paketti: avogadro (1.99.0-1 ja muut) [debports]

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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.

Muut pakettiin avogadro liittyvät paketit

  • depends
  • recommends
  • suggests
  • enhances

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Arkkitehtuuri Versio Paketin koko Koko asennettuna Tiedostot
alpha (epävirallinen siirros) 1.99.0-1+b1 946.6 kt2,527.0 kt [tiedostoluettelo]