Hello Shravan,
Hi All,
We are trying to migrate an application from CHIME to JMol. We have a
setup which requires CHIME to read a *.pdb file and build an IR
spectra graph with the information provided. There is another frame
where CHIME creates an animated visual of the loaded PDB data.
It sounds like you are inquiring about JCamp compatibility in Jmol.
The message below is from the Jmol list archives; I hope it will get you
further.
Hens
Folks-
I know that some of you may be interested in displaying
spectral data (which is possible with chime) to go along with chemical
structures in jmol.
We've got a
java applet which will display jcamp spectral data! The project's home
base is at sourceforge: http://sourceforge.net/projects/jchemapplet/ .
It's a work in progress and we'd love to have your feedback and
suggestions
about how to improve it. You can see a demonstration of the applet from
the project home page ( http://jchemapplet.sourceforge.net/ ).
It's possible that one or both of the students involved will continue
working in
the fall term, and your comments will help shape the work that will be
done. Huge thanks to Bob Hanson for helping us work through the data
compression algorithms.
The best way to
submit your feedback is probably via the sourceforge site, so that we
can keep
track of the suggestions and our progress.
-Jennifer
Jennifer Muzyka Associate Professor of Chemistry Centre
College 600 W. Walnut Street Danville, KY
40422 [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
http://web.centre.edu/muzyka 859-238-5413 fax
859-236-7925
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