http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm
now smoothly integrates JME with Jmol. Still two applets -- just shows how
to use JME as a quick input mechanism. Also uses Jmol to read the files that
JME can then display. Question: does JME allow direct file reading, or it is
only reading strings of data? If the latter, well, now it reads files.
Bob
On Sun, Apr 11, 2010 at 5:03 PM, Greeves, Nick <ngree...@liverpool.ac.uk>wrote:
>
> Yes, very cool and easy to use, perhaps too easy?
>
> My concern is the limitations of the minimisation which will lead to high
> energy "minima". e.g. Cis decalin becomes chair-boat instead of chair-chair,
> biphenyl is flat, simple amides are not planar. This is not Jmol's fault per
> se but could be misleading.
>
> Otherwise works nicely.
>
>
> All the best
> Nick
> --
> 3D Organic Animations http://www.chemtube3d.com
> Tel: +44 (0)151-794-3506 (3500 secretary)
>
>
> Subject: [Jmol-users] well, what do you know? Jmol and JME 2D to 3D
> To: jmol-users@lists.sourceforge.net
> Message-ID:
> <o2sba9c0bd61004102152r2848f768x43d726fab5e02...@mail.gmail.com>
> Content-Type: text/plain; charset="iso-8859-1"
>
> OK! Here we go! Super simple 2D to 3D.
>
> The JME-Jmol connection has gone unused for too long. With today's 12.0.RC5
> addition of reading bond stereochemistry, Jmol now does a pretty decent job
> of translating 2D into 3D -- admittedly this is not going to solve all
> problems, but give it a try:
>
> http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm
>
> Cool, eh?
>
> ------------------------------------------------------------------------------
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> Try the new software tools for yourself. Speed compiling, find bugs
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev
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