At 05:01 05/02/2006, Bob Hanson wrote:
I'd be interested in hearing from shravan about plans for this JCAMP business.
The reason I ask is that Robert Lancashire already has a Java applet that is
pretty advanced as a JCAMP reader, and he is developing it in conjunction with
Jmol.
Robert's original code was not Open - I believe his recent work is
aimed towards Open code but I am not sure where it has got to.
I have copied in the BO mailing list as this may go beyond Jmol.
CUBIC has code for management display and we are working with them on
CMLSpect - we are meeting this week so this is timely.
I expect that with modern architecture things like spectral display
and molecule display can be used in a wide variety of environments -
that is certainly our approach. The key things are:
* common architecture for GUIs
* common representation of data
* means of communicating (e.g. event models).
* ways of avoiding jar-hell for the distribution.
P.
It seems to me a bit odd to have a spectral section of Jmol itself and a lot
better just to have two independent applets that can talk to each other.
This is (potentially) a major addition to Jmol that is (in my opinion)
possibly off-topic of molecular visualization. Related - for sure - but not
necessarily something we would want integrated into it.
There are many people (myself included) who are very interested in
the close interoperation of spectra and molecular structure. For
example CMLSpect has tools for annotating spectra with molecular
information and this should mean it is easy to (say) display the
atoms and bonds involved with a spectral feature.
Can we talk about this before going too far with it?
P.
Peter Murray-Rust
Unilever Centre for Molecular Sciences Informatics
University of Cambridge,
Lensfield Road, Cambridge CB2 1EW, UK
+44-1223-763069
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