[Jmol-users] RE: CHIME to JMol data interchange?

[Richard Spinney]

Hi Angel, Hens et al   Shravan is working for me on an applet for displaying jcamp-dx files. Unfortunately, he is not a chemist (but a good JAVA programmer) and there may be some terminology issues. Chime is the example I used for how the jcamp display should work. We have a working applet (current version cam be seen at http://undergrad-ed.chemistry.ohio-state.edu/Jspec-2.0/applet.html). We are fixing a few bugs and then will release it to the world. (Note this is Henry Rzepa’s Jspec applet updated).   I would also like to replicate Chime’s ability to use interactive scripts between one Chime display of the jcamp file and a second display of a molecule (there are examples of this at MDL’s web site for Chime). The script is contained in the jcamp file and defines “hot zones” in the spectra. When a user clicks in the hot zone the script is sent to the molecule display window and changes the display or starts/stops an animation. The problem we are having is trying to determine how to pass the script from the jcamp viewer and Jmol which I would like to use for displaying the molecule. Any ideas?   Thanks, Rick   Richard Spinney Dept of Chemistry Ohio State University 100 West 18th Ave Columbus OH 43210 email: [EMAIL PROTECTED] Phone: (614) 247-6847 Office: MP0008