Chemie Dashboard

GaussView

GaussView is an affordable, full-featured graphical user interface for Gaussian. With GaussView you can construct molecular systems of interest quickly and efficiently using its molecule building facility. You can also use it to set up and run Gaussian calculations and to visualize a variety of results.

GaussView incorporates an excellent molecule builder for rapidly building even very large molecules:

  • Build molecules by atom, ring, group and amino acid.
  • Import molecules from other sources by simply opening them.
  • You can also add hydrogens automatically to structures originating from PDB files with excellent reliability.
  • Rotate even very large molecules in three dimensions.

GaussView includes easy-to-use graphical interfaces for even the most complicated Gaussian input types: defining ONIOM layers, specifying unit cells for Periodic Boundary Conditions calculations, selecting orbitals for CASSCF calculations (see the lower left dialog in the illustration), and the like.

Gaussian jobs can be launched from within the user interface, and the calculation results can be examined when it finishes.

GaussView can visualize a variety of different Gaussian results, including:

  • Optimized structures.
  • Molecular orbitals.
  • Electron densities, electrostatic potentials and other surfaces.
  • IR and Raman spectra and the associated normal modes.
  • Animated geometry optimization, IRC and trajectory results.
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