==course no. 44 ===

Applications of Computer Graphics to Molecular Modeling

course level: intermediate / half
day offered: Tues - PM

Chair(s): TJ O'Donnell - O'Donnell Associates
 
==Lecturer(s)=== 
Arthur J. Olson
The Scripps Research Institute

Charles Hutchins
Abbott Laboratories

Ed Olejniczak
Abbott Laboratories

Glen Kellogg
University of Virginia

TJ O'Donnell
O'Donnell Associates

==Course Description===
Computer graphics offer opportunities to help solve both theoretical and 
experimental chemical research problems. This course examines how 
computer graphics applications developed in the last year or two are being 
used successfully with the most current chemical information and research 
taking place in labs today.  Protein modeling/interaction, 3D data contours, 
and data bases for 3D and 4D NMR will be discussed.  The course also 
covers output methods including slides, postscript, color printers and 
plotters, film, video, and novel techniques, such as phscolograms.

==Who Should Attend=== 
This course is designed for people who actively are involved in scientific 
visualization, especially chemistry, or who support those researchers through 
design of computer graphics applications.

==Recommended Background (Prerequisites)=== 
Attendees should have a working knowledge of 3D chemical structures 
(first-year undergraduate chemistry) and at least one computer and software 
system used for molecular structure display either on a workstation or PC.  
Some background in proteins is helpful.

==Course Objectives=== 
The course covers the application of molecular modeling in its widest sense, 
by demonstrating new ways for research chemists to look at familiar 
modeling data using current technology. Examples focus on how computer 
graphics has been used to develop and refine models of molecular structure. 
The course provides practical applications of computer graphics 
technologies in molecular modeling and explores opportunities to 
improve existing technology to satisfy chemists.

==Chair Biography===
Dr. TJ O'Donnell is a computational chemist and computer graphics 
specialist.  He has devised and applied techniques for visualization of a wide 
range of chemical data.  In 1980, he received a Ph.D. in physical chemistry 
from the University of Illinois in Chicago.  As a postdoctoral fellow at the 
National Resource for Computation in Chemistry, he created the program 
GRAMPS, used by researchers throughout the world.  As a researcher at 
Abbott Laboratories, he designed a molecular modeling system, with 
its graphics capabilities based on GRAMPS.  

In 1987, he formed a consulting company, specializing in computational 
chemistry and scientific visualization.  He has published research articles on 
applied and theoretical computational chemistry and has created several 
films and videotapes.  He is a member of the American Chemical 
Society/COMP division, American Association for the Advancement of 
Science and ACM/SIGGRAPH.  He is currently serving as committee 
member to the Molecular Graphics Society.