ps -- if you issue for that second sample:
MINIMIZE
(maybe twice? Don't know; I did that.) Then it works:
print {chirality != ""}.label("%a%[chirality]").join(",").replace("C","")
1Z,2Z,3E,4E,5Z,6Z,7Z,8Z,9Z,10Z
(carbon numbering, not naming)
On Fri, May 5, 2017 at 3:57 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> Pino,
>
> The first structure shows no designations because designations are
> specifically removed for all ring sizes less than 8, and you have
> 7-membered rings there.
>
> In the second case, you have highly twisted double bonds, so the cis/trans
> determination cannot be made. They have to be planar.
>
>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
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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