[phenixbb] Switching off symmetry related van der waals in phenix.refine

[Ralf W. Grosse-Kunstleve]

> How can I refine this structure to include the PEG molecule?
>
> Is there a way to remove van der Waals repulsion between one half
> occupancy PEG and its crystallographic symmetry mate ?
>
> Is there a way to switch off symmetry related van der waals terms
> from the penalty function in phenix.refine ?

Nope. Sorry. Fixing this is near the top of the list.

You can refine the rest of the structure like this:

  refine.sites.individual="not resname PEG"

Ralf