[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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> Stefan D. Knight, PhD
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