Thank you for cell.
For P32 21 2 spacegroup with this cell the only higher Laue symmetry you
could generate is P6/mmm, so as Jonathan says I wouldnt worry about the
FreeR assignment..
I can look at possible NCS operators if you like - the most informative
output is to run MOLREP Self Rotation on yo
I remember we discussed this a lot about a year ago when Ed Berry revived a
thread from 2003!
https://www.jiscmail.ac.uk/cgi-bin/wa-jisc.exe?A2=ind1905&L=CCP4BB&O=D&P=72099
I think the upshot of it all was that you do not need to use shells even with
quite high NCS since Ian Tickle rightly pers
Hmm - this finally was rather deprecated - there are some less happy
consequences to have all reflections in a particular resolution shell
excluded.
If your NCS means there is pseudo- symmetry in the diffraction and it would
be possible to have a cell with higher point symmetry (an example might be
Hello,
I'm refining protein structure in Refmac and I have NCS greater than 4 ( I've 8
identical subunits in the asymmetric unit).
In the "Refinement parameters" section in Refmac, how can I pick Rfree set
based on thin resolution shells rather than in the normal random method?
I've read abou
Hi,
This question may have been asked before, so please excuse me for re-posting
it. I notice that when I do a round of 10 cycles of refmac combined with
(5cycles, 3 sigma level, 1.4 A resolution) of findwaters in coot, some water
molecules from the different coot cycles fall one on top of the
