I have used the solution from Angel with the "fake elements" and it
works perfectly.
Also thanks to Alex. The "AND" was the problem and with "OR" it performs
well.
Great support here at the Jmol-List.
Kind regards,
Andreas
Am 19.07.2012 14:12, schrieb Robert Hanson:
What you could do is just give standard atoms labels like "Et" and "H2O"
$ load $caffeine
$ select _N
4 atoms selected
$ label "OK"
$ select label="OK"
4 atoms selected
Bob
On Wed, Jul 18, 2012 at 11:56 AM, Andreas Truszkowski
<[email protected] <mailto:[email protected]>> wrote:
Hi Angel,
Am 18.07.2012 18:41, schrieb Angel Herráez:
> I don't think you can define your own symbols. After all, they are
> element symbols with precise chemical meaning. The XYZ reader
expects
> to see them.
Ok. I was afraid of that :). So I have to define and write my own
filter GUI. Fortunately, the scripting API is very powerful.
Kind Regards,
Andreas
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Robert M. Hanson
Larson-Anderson Professor of Chemistry
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St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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
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