[phenixbb] NCS in mr_rosetta
Terwilliger, Thomas C
terwilliger at lanl.gov
Wed May 14 08:10:41 PDT 2014
Hi Stefan,
Normally mr_rosetta figures out the NCS from the MR solution itself, as opposed to using anything in the data. It would seem that the MR step should have found 3 copies and then mr_rosetta should have noticed that. I wonder if somehow the MR step didn't find multiple copies?
All the best,
Tom T
On May 14, 2014, at 7:13 AM, Stefan Knight wrote:
> Hi,
>
> Is there some way to make mr_rosetta use information about NCS present in the data? I have data from a crystal in sg P21 with a clear 3-fold axis perpendicular to the two-fold screw (as seen in self rotation function), and most likely 6 molecules in the asymmetric unit, but none of the mr_rosetta solutions that have appeared so far show 3-fold symmetry, and it doesn’t seem like the ncs is used in the search. The only info about ncs in mr_rosetta I have been able to find online pertains to extracting NCS from search models or mr_rosetta assembled models.
>
> Thanks,
> Stefan
>
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