Re: [phenixbb] advice for refinement with anomalous information

27 Aug 2010

      Hi,

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:
refinement.refine.anomalous_scatterers {
   group {
     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?

Thanks,

John Rose