Wednesday, 28 December 2011

jumping ligand

From: Ed Pozharski
Date: 30 November 2011 18:40


Did anyone ever seen a ligand molecule (or water, maybe) moved into a
symmetry-related position upon refinement in refmac?  If that is a
feature (e.g. to make sure that non-protein stuff is coordinated to the
spot of the closest contact), how can I disable it?

Cheers,

Ed.

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From: Garib N Murshudov


Does it happens when you use automatic NCS restraints?

Garib N Murshudov





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