Re: [ccp4bb] excluding residues from NCS

2017-02-28 Thread Clemens Vonrhein
Dear Alice, in case you are still working on setting up NCS-restraints in refinement (especially excluding those residues from NCS-restraints that are truly different): BUSTER [1] can do this automatically through the use of so-called "pruning" of the local structure similarity restraints [2]. It

Re: [ccp4bb] excluding residues from NCS

2017-02-21 Thread Eleanor Dodson
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) wrote: > Dear all > > I am working on a

[ccp4bb] excluding residues from NCS

2017-02-21 Thread Alice Dawson (Staff)
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