On Wed, 2004-05-26 at 03:48, E.L. Willighagen wrote:
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> On Wednesday 26 May 2004 03:35, Rajarshi Guha wrote:
> > After I get the code cleaned up and a little nicer, do you think this
> > could be included in the Jmol distribution as an example?
> 
> Yes, that would be interesting... If you send the code, I will add it to 
> CVS... please make sure to decide who will have copyright (you, your group, 
> your university, or the Jmol project), and wether you are allowed to decide 
> on this... 

I'll get it cleaned up and send it to you.
As for copyright I can give it to the Jmol group - do I need to add
anything in the sourcefile to that effect?

> > Just as a side note - the reason why I was writing this was to let me
> > call it from R so that I can view molecular structures along with
> > descriptor values from an R session itself (maybe interesting for the
> > qsar-devel list)
> 
> Yes, very nice... would be very interesting to see how you did that...

I've placed a proof of concept type example at
http://jijo.cjb.net/code/R - the example uses SJava and basically is a
wrapper around Integeration.java.

The calls are trivial - its massaging data types that are the pain :(

I'm working on getting the interface for the JTable based viewer code
working.

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Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net>
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Q: What's yellow, linear, normed and complete?
A: A Bananach space.



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