Thanks again! I could not try yet but am sure it'll solve the issue.
I did read the documentation on atomExpression and could not figure
out the exact syntax from there - what I was missing was a few
examples like yours. Would it make sense to put some examples there,
or did I miss that, too? (possible!)
best
Volker
On Sep 21, 2008, at 5:14 PM, Angel Herráez wrote:
On 21 Sep 2008 at 15:50, Volker Blum wrote:
- the sequence of commands
structure HELIX (atomno=17,18,19,27,28,29,37,38,39,47,48,49);
ribbon on
does nothing at all in my case (those are the numbers of the
backbone ...-CCN-CCN-...'s . The whole thing is clearly helical -
what am I
missing?)
It's just that you cannot specify atom numbers that way.
structure HELIX (atomno=17, atomno=18, atomno=19, etc
or
structure HELIX (atomno>=17 and atomno<=19, atomno>=27 and
atomno<=29, etc
Thanks for your help, and sorry about the perhaps silly follow-up
questions.
No problem, we are here to learn and to help
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Dr. Volker Blum
Fritz-Haber-Institut der MPG
Abteilung Theorie
Faradayweg 4-6
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