[phenixbb] Refinement using data with pseudo translational symmetry

Bret Wallace bretw319 at gmail.com
Sun Mar 18 09:07:18 PDT 2012


I have been using the auto.ncs function in phenix, but I haven't really
looked to see if they are properly defined myself.


At this point I have not tried using the ordered_solvent command in phenix
yet to find waters.  I will try that real quick before I bother you to have
a look at it.  I'll let you know the updated R's afterwards.


It is interesting that you say that, because I after I lowered the symmetry
to P21, and re-ran xtriage, it mentioned that I had pseudo-merohedral
symmetry, but I didn't pursue that further. My beta-angle was also ~90.2 in
this case, and the twinning operator is the same (h, -k, -l).

I will detwin and re-refine and see what happens,

Thanks everyone and I'll let you know what works,
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