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Dear all

I am working on a structure with 10 monomers in the asymmetric unit (2 pentamers). I am using the NCSR local option in Refmac to automatically generate NCS restraints. This is working well (much better than the NCS restraints I defined manually). However there is one residue in one subunit that makes a hydrogen bond with an adjacent chain (due to crystal packing) and this pulls the side chain over by abut 0.3A. Sadly this is too small to cause these residues to be excluded automatically from the NCS restraints but large enough to make the difference map nasty. Is there any way to exclude residues from NCS local? 

Thanks (particularly as I have another 7 structures of the same protein to tidy up)
Alice

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Alice Dawson
WNH Lab
Division of Biological Chemistry and Drug Discovery
School of Life Sciences
University of Dundee
01382 385744


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