I agree with Otis that whatever is done should be compatible across platforms, 
not just on the iPad.  I don't know if any of you have looked at iSpartan which 
WaveFunction is now marketing.  I have only seen it in the display booth at ACS 
meetings.  I think Alan Shusterman from Reed College has been the instigator of 
the project.

As I read the description on the WaveFunction web site and in the Apple Store, 
the app allows you to draw a 2-dimensional representation which the program 
will then convert to a 3-D display.  It does molecular mechanics, and I think 
some Semi-emperical minimizations, has a database of 5000 molecules for spectra 
and will do surfaces.   It also serves as an external input to Spartan Server 
on a laptop or desktop machine.

It is one of the more pricey apps in the store at $19.99, and is claimed to run 
on the iPhone or iPad.  I have not seen it on the former.


J. Philip Bays
Emeritus Professor of Chemistry
Department of Chemistry and Physics
Saint Mary's College
Notre Dame, IN 46556
[email protected]






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