[phenixbb] Help making selections

Pavel Afonine PAfonine at lbl.gov
Thu Aug 23 15:53:02 PDT 2007


Hi James,

> I am trying to refine a structure where I want chains C and D refined
> anisotropically.  Chain A refined isotropically and as a TLS group.
> Chain B refined isotropically and as a (separate) TLS group.  Chain S
> (waters) just refined isotropically.
>   

Here are the selections for this:

  refine {
    adp {
      individual {
        isotropic = chain A or chain B or chain S
        anisotropic = chain C or chain D
      }
      tls = chain A
      tls = chain B
    }
  }

Please let me know if you have any more questions or want me to comment 
this.
Pavel.



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