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

[Bob H. <ha...@st...>]

Miguel and Rick, for those of us who LIKE the way JavaScript interacts wi=
th applets,=20
please continue to allow message callbacks to receive communication such =
as this. It is=20
far easier and faster (for me, at least) to customize JavaScript than reb=
uild applets.

Thanks,

Bob


Miguel wrote:

>>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 the=
re
>>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 ca=
m
>>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 t=
his
>>is Henry Rzepa's Jspec applet updated).
>=20
>=20
> Excellent
>=20
>=20
>>I would also like to replicate Chime's ability to use interactive scrip=
ts
>>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?
>=20
>=20
> Rick,
>=20
> I have been quite busy and have not had a chance to look into this yet.
>=20
> Nevertheless, I remain quite confident that I can give you a Java API
> which will allow your applet to send text scripts directly to Jmol for
> evaulation. Don't worry about my piece, just keep your student moving
> forward.
>=20
> Have your student keep working on other aspects of the project ... try =
to
> get everything else done.
>=20
> I recommend that you consider the following:
>=20
> Have your student build a DummyJmolApplet that accepts script text. The
> implementation would simply be a text window that displays the text of =
the
> last script that it was given. You could then build a web page that
> included your JcampApplet and the DummyJmolApplet. Events in your
> JcampApplet could/should trigger the display of the appropriate script
> text in the DummyJmolApplet.
>=20
> I estimate that this dummy JmolApplet can be built in less than 250 lin=
es
> of code. Depending upon the development skills and experience of your
> programmer this might take two hours ... or might take two weeks.
>=20
> The only tricky part for your student is going to be establishing
> communication between the two applets. Tell your student to assume one
> DummyJmolApplet per page and to use a static method and a static class
> member. (Extra credit for your student: try to use 'synchronized' in or=
der
> to prevent race conditions).
>=20
>=20
> Meanwhile, I assure you that this is high on my list of things to do.
>=20
>=20
> Miguel
>=20
>=20
>=20
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--=20

Robert M. Hanson, ha...@st..., 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:ha...@st...
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein