[phenixbb] ADP refinement selection

Pavel Afonine pafonine at lbl.gov
Thu May 26 11:05:28 PDT 2011

Hi Christian,

the problem is that you did not ask phenix.refine to refine the rest of 
the atoms isotropically (with your command below you only refine 
anisotropic ADPs of atoms in chain Q, and the B-factors of all the other 
atoms are not refined):

>      adp {
>        individual {
>          anisotropic = "chain Q"
>        }

I would do it like this:

adp {
   individual {
      anisotropic = chain Q and element CL
      isotropic = not (chain Q and element CL)


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