Hi Pavel - Thanks for the reply. I have a 2.6 A data set that has a dimer in the asymmetric unit, and so I'm using NCS. Some of the big sidechain densities (LYS, ARG, etc.) are not well-defined so I'd like to just restrain them to the other chain. The auto rotamer fitting of course tries to fit them, and the result is a list of half a dozen or so rotamer violations. I'm going through the list to see if the density truly defines different conformations. I think this is just a general run of the mill problem with fitting/refinement with NCS. Thanks, Owen On Jul 15, 2013, at 1:55 PM, Pavel Afonine wrote:
Hi Owen,
you can disable it by turning of real-space refinement off.
I'm interested to know what exactly is not going well: could you please explain this to me off list and send files so I can reproduce the problem?
Pavel
On 7/15/13 10:46 AM, Owen Pornillos wrote:
I'm using one of the nightlies - dev 1427. It's not doing very well in combination with NCS. Or what is the most recent nightly that does not have this feature?
Many thanks,
Owen
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