Genetic Code

In the News..

28-06-2006

GaussView 4 - coming soon

Gaussian Quick Launch & Job Schemes: Launch Gaussian without saving the molecule first, and save commonly-used calculation types as templates.

3D Scan Plots: Results from Scan calculations over 2 variables are displayed as a 3D plot.

Greatly expanded plot features for Spectra: Support for UV/Visual spectra and the ability to customize all spectrum plots,including frequency scaling.

Enhanced Fragment Library support.

Contour plots: Display surface slices. Also, much faster surface generation.

Movie files: Generate animations of geometry optimizations, IRCs and other calculation types as well as molecular vibrations from frequency jobs.
The Tommi Melon

GaussView 3.0/3.0W/3.0M

Introduction

GaussView is an advanced molecule builder & results visualisation tool for Gaussian 03. You can use it to rapidly sketch in molecules and examine them in three dimensions. You can build molecules by atom, ring, group, amino acid and nucleoside, and you can also open PDB and other standard molecule files (hydrogen atoms can be added automatically with excellent accuracy and reliability).

GaussView 3.0 makes using Gaussian 03 simple and straightforward

  • Sketch in molecules using its advanced 3D Structure Builder, or load in molecules from standard files
  • Set up and submit Gaussian 03 jobs right from the interface, and monitor their progress as they run
  • Examine calculation results graphically via state-of-the-art visualization features: display molecular orbitals and other surfaces, view spectra, animate normal modes, geometry optimizations and reaction paths

...and more

GaussView supports all Gaussian 03 features, and it includes graphical facilities for generating keywords and options, molecule specifications and other input sections for even the most advanced calculation types. GaussView makes it simple to set up ONIOM layers, unit cells for Periodic Boundary Conditions jobs, CASSCF active spaces, molecule specifications for transition structure optimizations using the STQN method, and so on.