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Hello all, I wondered if anyone can help with a NCS problem in coot. I have a 3.2A structure with 5 homodimers (10 chains) in the ASU. Given the resolution, there are 10 chains for NCS. Obviously, I am disinterested in refining all of them. I've tried using NCS in coot, however, when I try to apply the edits from my master chain (which I changed from chain "A" to the chain with the best density- happens to be "G"), coot only applies changes to some of the chains. Not only that, but the chains which the changes are applied to also seems to be random. I've gone throught this several times now and the changes have been applied to different chains each time. When I load in the model, coot does find NCS for all chains A-J. I wonder if this might be a buffer issue given the ridiculous size of my ASU (>0.5 Megadalton)? I noticed also that coot can use a set of strict NCS matrices. Is this similar to CNS where you reduce your number of molecules, in my case, from 10 to 1. If so, how do you re-apply the matrices to re-constiture the full ASU for a run in refmac? Thanks for the help Eric -- D. Eric Dollins C266 LSRC, Box 3813 Duke University Medical Center Durham, NC 27710 (919)681-1668
