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CAChe Molecular Modeling Tutorials Introduction
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This series of pages is UNDER CONSTRUCTION! I welcome
your comments
and suggestions.
This is a series of molecular modeling tutorials developed by
Karen J. Brewer
for use in the Chemistry Department at Virginia Tech to assist students with
utilization of the CAChe molecular modeling package version 3.9 on a SGI
workstation using IBM clients Satellite for Windows 95 version 3.0. These tutorials are
designed to be viewed with
Netscape 2.02 or greater.
The CAChe molecular modeling package available here at Virginia Tech consists
of several modules that allow you to construct molecules for analysis, perform
computer based calculations and visualize your results. This program provides a
computational package coupled to a variety of visualization tools that allow you
to easily view your results. Several different types
of calculations are possible including mechanics,
dynamics, extended Huckel,
ZINDO, and MOPAC.
View some
of the types of chemical information you can get using our CAChe molecular
modeling package.
IBM clients are located in the Chemistry Department Computing Lab. You will need to
obtain a password from Karen J. Brewer
prior to being able to utilizing this software.
The CAChe manuals are available to be checked out from the Chemistry Department
Stockroom in 126B Davidson Hall.
Members of the Chemistry department here at Virginia Tech who are interested
in purchasing their own client software should contact
Karen J. Brewer for assistance.
Information about the CAChe molecular modeling group server system can be obtained
from CAChe Scientific.
Chemistry Classes Currently Using the CAChe Software:
- Chemistry 4414: Inorganic Chemistry Laboratory
- This course is utilizing the CAChe software to visualize chemical structures, create
energy minimized structures and in a combined molecular modeling / synthesis experiment. The
students model a series of Mo complexes and make predictions about their chemical properties.
Next they prepare the compounds in the laboratory and measure their chemical properties.
Finally the students look for correlations between predicted and observed chemical properties.
Go to the
Main CAChe Molecular Modeling Page
Special thanks to the National Science Foundation DUE-9750680, the CAChe Higher Education Program and
the Virginia Tech Center for Excellence in Undergraduate Teaching for financial
support of this project.
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