Re: [phenixbb] Planarity restraint for covalent linkage

I'm trying to refine a thioester linkage (CoA to glutamate). Is it possible to define planarity restraints in a refinement.geometry_restraints.edits file along with bonds and angles?

Yes, this was added recently by Jeff. In the 1.6.3 release you can define custom planarities like this: refinement.geometry_restraints.edits { planarity { action = *add delete change atom_selection = chain A and resid 123 and (name C or name N or name O) sigma = 0.02 } } Ralf