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[ccp4bb]: REfmac message!
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Hello All,
I am at the end of refinement of my structure. Things went great.
then now that my R-factors are 15.5 and Rfree is 17.0 (data to 1.1A
resolution) refined with anisotropic b factors, I am suddenly getting
Problem in MAKE_U_POSITIVE -0.1387620
How do I find out the offending atom(s) - or did something else go crazy.
The geometry are all well behaved. I have 8 Zn+2 in my structure and
their equivalent isotropic B's are positive.....
Thanks.
Rams.
--
S. Ramaswamy
Department of Biochemistry.
University of Iowa.