Summary of

MoleCVUE meeting

May 30 - June 3, 2006

Attendees:

Stephen Dunham
Moravian College
AJ Fleisher
Elizabethtown College (student)
James Foresman
York College
Mary Harner
Elizabethtown College (student)
Gary Hoffman
Elizabethtown College
Dan Libby
Moravian College
Brent May
Lockhaven University of Pennsylvania
Lisa Morkowchuk
Moravian College (student)
Neysa Nevins
Glaxo-Smith-Kline
Karl Oberholser
Messiah College
John Ranck
Elizabethtown College
Kevin Range
Lockhaven University of Pennsylvania
Carl Salter
Moravian College
Richard Schaeffer
Messiah College
Peter Slivka
Moravian College (student)
Sarah Thoma
Moravian College (student)
Arlen Viste
Augustana College
Jeff Wolbach
Juniata College

Software discussed:

PCModel
PiPE
MOE
pymol
Gaussian
WebMO
JMOL
Hyperchem
yasara
Gaussview
nwchem

Issues discussed:

Periodic systems
inserting molecular images into HTML
data mining as a classroom tool
stereo projection of molecular systems
integration of theory and calculations
drug design exercise as a laboratory exercise
use of ONIOM
solid state calculations in the undergraduate curriculum