Could you rename it for the time being - ASN or LEU for ASP or some such cheat? Not sure whether local NCS requires identical residue names as well as conformations.. Eleanor
On 21 February 2017 at 10:39, Alice Dawson (Staff) <[email protected]> wrote: > 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 > > -- > Alice Dawson > WNH Lab > Division of Biological Chemistry and Drug Discovery > School of Life Sciences > University of Dundee > 01382 385744 > > > The University of Dundee is a registered Scottish Charity, No: SC015096 >
