GaussView is an application that assists users in preparing input molecular data prior to submission to the Gaussian program. It also allows users to graphically examine the output that the Gaussian program makes. The application gives users access to an online Help system where they can take hands-on tutorials on the program’s features.
This viewing application provides users with 3 main benefits:
• Advanced visualization – this feature enables users to make rapid sketches of very large molecules. Users can zoom in and out and rotate the molecules using the mouse. In addition, this feature also lets users import PDB files and other standard molecule file formats.
• Set up Gaussian calculations – this application supports various types of calculations used in the Gaussian program, making it easy for users to prepare complex input data, from routine types to more advanced methods. Among the supported types are periodic boundary calculations and CASSCF calculations. Users can define the default as well as the named calculation templates or schemes in order to make the job setup process faster.
• Graphical techniques – this allows users to examine the results of the calculations done. This viewer can display the electron density surfaces, atomic charges, and information on the molecular stereochemistry, among others.
GaussView can also be utilized for launching Gaussian jobs if the main program is also installed in the user’s computer.