The problem is that some are only input files, I think. To date, the
SMOL reader only reads output files containing the ARCHIVE section.
Nick Greeves wrote:
I'm keen to be able to use Spartan 04 files directly with Jmol. The
latest version can open some of my .smol files but not all.
To my mind http://jmol.sourceforge.net/demo/vibration/ is an
excellent way of displaying all the various vibrations a molecule can
undergo.
That page is hard-coded, of course. A better solution is a general
page that reads the vibrational frequencies right from the file and
constructs that list on the fly, depending upon what file is loaded.
Once we get applet.getProperty() into the production version of Jmol
you will be able to do that. I can do it right now with my test
version, but that's very experimental. I'm thinking I'll write a test
page that does that, but not today!
The benzenevib.slst.zip file I uploaded IS opened by Jmol.jar but I
can't see how to isolate the various vibrations - they all happen in
quick succession at present.
Bob, any ideas?
Also .smol structural files generated by Mac OS X are not read by JMol
10.00.54.
All the best
Nick
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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