ramme29 at yahoo.com
Tue Apr 27 11:09:58 PDT 2010
I do have crystal structure of my ligand and trying to optimise the geometry using phenix.elbow.
It entirely rotate one of the ring bond to other side and in result of breaking the ring geometry.
Ring contain sulphur and other heavy metal.
Is it any way to optimize with current geometry in phenix.elbow so that it wont ruin the molecule?
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