Angel suggested yesterday the minimizing solution which works.
Thank you both!
Jaim
Here’s Angel complete solution:
mutate 148 SER;
select [SER]148:A;
color CPK;
wireframe 0.2;
color opaque;
minimize (selected and sidechain);
// alternative: minimize fix (not (selected and sidechain));
delete selected and _H;
connect single modify;
On 1 Feb 2017, at 05:41, Robert Hanson
<hans...@stolaf.edu<mailto:hans...@stolaf.edu>> wrote:
(sorry for the delay -- the images were over the byte limit for the list)
I just meant that I think the flexible fit algorithm in Jmol just uses the
carbon atoms, not the rest of the atoms, so it is quite possible that a C-O
bond will be rotated. Did you try minimizing?
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