On Fri, 2004-10-29 at 17:07, [EMAIL PROTECTED] wrote:

> Say one molecule takes the renderer 1MB memory, then 1000 would take
one TB... 
> I think it would be better to have a table where you select one
molecule which 
> is then displayed in a Jmol Panel... basically, just like the
DirBrowser and 
> the RSSViewer plugins...

Hmm, thats a good point

> I'm not sure how firing up a table works from R, so it might be tricky
to get 
> a custom JPanel (split with table left and one jmol right, or somthing
like 
> that...) displayed from R...

Its doable I think - but the approach seems a little kludgy. If I knew
which molecule I wanted t look at I could just open up a Jmol viewer
from the command line.

In the end its not a huge problem, as looking at a 100 molecules
probably would'nt make much sense. However its nice to be able to just
browse structures and associated data to see if anything obvious pops
up.

A slighlty, unrelated question - would it be more feasible to do this
with the CDK 2D renderer?

-------------------------------------------------------------------
Rajarshi Guha <[EMAIL PROTECTED]> <http://jijo.cjb.net>
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In matrimony, to hesitate is sometimes to be saved.
-- Butler



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