[phenixbb] advice for refinement with anomalous information
rose at bcl4.bmb.uga.edu
Thu Aug 26 21:41:45 PDT 2010
I am refining my first structure (Cd-SAD) with the Phenix (GUI) and
would like to refine anomalous f' and f". When i check the box, a
menu appears and I have no idea of how to define the Cd atoms.
I looked at the help and FAQ and found this:
selection = name BR
f_prime = 0
f_double_prime = 0
refine = *f_prime *f_double_prime
So I thought the name should be input as CD in the gui but when I
submitted the refinement I got an error.
Any help here would be appreciated?
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