Introduction:

This is a series of molecular modeling tutorials, developed by Elisabeth T. Bell-Loncella, for use by students in Chem 0111, General Chemistry, Chem 1131, Inorganic Chemistry and Chem 1133, Synthesis and Characterization Laboratory, in the Chemistry Department at Pitt-Johnstown. These are intended to assist students as they learn to use the CAChe molecular modeling package version 6.1. These tutorials are designed to be viewed with Netscape or Internet Explorer.

The CAChe molecular modeling package available at the University of Pittsburgh consists of several modules that allow you to construct molecules for analysis, perform computer based calculations and visualize your results. Several different types of calculations are possible including Molecular  Mechanics, Quantum Mechanical semi empirical methods (MOPAC, ZINDO) and Quantum Mechanical Ab-Initio Methods (DFT using DGauss).

This tutorial is set up as a series of lessons to take you through the construction of organic and inorganic compounds followed by several types of computer based calculations. These tutorials are intended to be performed in the order listed in the outline.

Tips using the tutorials:

You may start at any point in the tutorials.  However, they will be most effective if you start at the beginning, build the molecules and then learn about the other features using these molecules.

Keep the CAChe window and your browser window open simultaneously.  Flip back and forth between the tutorials and CAChe as you work your way through the tutorials.

The first page gives you an overview of the Basics of CAChe. In the first module you will Explore the User Interface.

Dr. Karen Brewer at Virginia Tech has a tutorial with a graphical overview of the CAChe Screen .  You may want to try that. 

There is a series of tutorials for an earlier, MAC, version of CAChe at Oxford University:  http://www.chem.ox.ac.uk/course/cache/default.html

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