[phenixbb] getting started with anisotropic refinement

Ralf Grosse-Kunstleve rwgrosse-kunstleve at lbl.gov
Thu Apr 19 08:36:14 PDT 2012


>
> I've never tried but this might work too:
>
> refinement {
>  refine {
>    adp {
>      individual {
>        aniso_sel = chain A and (resseq 7:44 or resseq 61:149 or resseq
> 173:182 or resseq 202:254 or resseq 263:290)
>        isotropic = not $aniso_sel
>        anisotropic = $aniso_sel
>      }
>    }
>  }
> }
>

Small change:

isotropic = not ($aniso_sel)

(Without the () the not only applies to the first part of the aniso_sel.)

Ralf
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