Re: [Jmol-users] Jmol Virtual Model Kit

[Philip B. <pb...@sa...>]

ChemSketch is available, or was a year ago, as Java applet and is platform independent.  I also found it to be more accurate in defining stereochemical features than was JME.  But I was using the SMILES approach from both.   I wanted a student to be able to draw a structure which upon submission would be converted to a SMILES string which I would then compare to the correct answer.  JME would not always give the same strung for the drawing, though the string was also correct, and the stereochemistry was not always reproducible.   Since the program involved both stereo- and regio-chemistry correctness, I abandoned JME.  However, I got sidetracked and have not finished the project:-(

I would be interested in hearing more about the JME string?


On Apr 9, 2010, at 1:55 PM, Otis Rothenberger wrote:

> Rich,
> 
> I'm not a Mac user, but ACD has a Web page that discusses use of their 
> software on Macs:
> 
> http://www.acdlabs.com/support/mac.php
> 
> My partner in this project, Tom Newton, is a Mac user (and Windows 
> user). He may know the answer to your question from experience. I'll 
> copy him with this note and post his reply.
> 
> Otis
> 
> On 4/9/2010 12:59 PM, rg...@el... wrote:
>> On Fri, April 9, 2010 12:16 pm, Otis Rothenberger wrote:
>> 
>>> Downside: It's a helper application. Upside: ACD generously makes
>>> ChemSketch a free download for private, student, educational use.
>>> 
>>> 
>> Isn't ChemSketch a MSWindows-only product?
>> 
>> Rich
>> 
>> 
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> 
> -- 
> Otis Rothenberger
> chemagic.com
> 
> 
> 
> 
> ------------------------------------------------------------------------------
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> Try the new software tools for yourself. Speed compiling, find bugs
> proactively, and fine-tune applications for parallel performance.
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J. Philip Bays
Professor of Chemistry
Department of Chemistry and Physics
Saint Mary's College
Notre Dame, IN 46556
(574) 284-4663
pb...@sa...