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

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