[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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