[phenixbb] special positions

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Wed Jul 2 12:34:13 PDT 2008


Hi Oliver,

> a very simple question (although I could not find *anything* about this
> in the documentation!): What does phenix.refine expect as occupancy
> for an atom on a special position: reduced occupancy (like refmac)
> or full occupancy (like cns_solve)?

Full occupancy. phenix.refine computes and applies the correction
due to the special position internally.

Ralf



More information about the phenixbb mailing list