On 11/04/2022 15:55, Martin Moche wrote:
Dear colleagues,
We are refining a structure where an acetate ion (ACT) binds a zinc
ion, Zn+2 (ZN), using an excellent quality 1.38Å dataset, [...]
When doing COOT sphere refinement, the acetate ion moves on top of the
ZN? like the ZN was not there? [...] Why is the acetate ion not aware
of the ZN in COOT?
That is not the intended behaviour. Seems like a bug. How can I
reproduce it?
0.9.8.1 is the latest version of Coot in the 0.9.x series.
Paul
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