[phenixbb] Planarity restraint for covalent linkage

Elwood A. Mullins mullins at purdue.edu
Wed Jul 21 13:47:30 PDT 2010


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? If not, what would be the best way to restrain the linkage?


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