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Tutorial Details: Introduction to Computational Chemistry Graphical Interfaces

Date: Tuesday, February 15, 2005, 01:00 pm - 03:00 pm
Location: 402 Walter
Instructor(s): Dr. Patton L Fast,

Graphical user interfaces are a quick and easy way to get started using and learning a new software package, to tame an old complex one, or to produce some descriptive visual aids. GaussView is a handy, flexible graphical interface to the Gaussian electronic structure package. Other interfaces include Maestro for Schrödinger products and Ecce for NWChem.

This tutorial will focus on the features of GaussView that will help you easily create input files for Gaussian, submit calculations on the various platforms, and visualize the generated output. The Maestro and Ecce interfaces will also be discussed in general.

Prerequisites: None