Shravan is working with Richard Spinney at Ohio State.
Ah, OK. I'll call Richard.
You folks are aware that I have limited knowledge of what goes on on the
chemistry world.
Of course.
You are exactly work.
?
Shravan is working on a completely independent applet that would send
script commands to Jmol.
OK, that's great. I look forward to hearing what the JCAMP subdirectory
is about -- maybe that's a different applet. If so, then we should
encourage an independent sourceforge project.
For that reason it is not integrated into Jmol. It is supposed to use the
same interface that would be available to other applets.
With that said, I don't have any problems with it being part of the Jmol
project, as long as it is a separate entity.
As I said, a significant number of people have asked about it ... and
Chime had some support for jcamp data ... so I assume that it is important
functionality.
Robert Lancashire wrote the Chime code for MDL in C++, and that code is
proprietary. But he has also adapted it to Java, and that is not under
the same sort of proprietary contract. His applet, JSpecView, is fully
functional, works spectacularly, and is already talking with Jmol via
standard interface. His applet handles IR, NMR, MS, and UV/VIS spectra,
allows interactive communication with Jmol in terms of users clicking on
atoms or on spectral peaks, etc. The one catch is that it has not been
open source.
I just spent a month in Kingston, Jamaica, at the University of the West
Indies, where Robert is based. Of course, I encouraged him to head for
open source now that MDL has signed off. Stay tuned. He is so far ahead
of anyone else on this; I hate to see all that work just recreated for
no obvious gain.
Robert is reporting on this in a few months at both the CONFCHEM
conference (ACS online conference, in May) and BCCE 19 (Purdue, July),
both of which I am organizing. But I'm betting that we hear from him
sooner than that.
Bob Hanson
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