Dear Phenix Developers,
I was refining a structure containing L-hydroproline (HYP)
and it looks like that the dictionary for HYP in Phenix has
the wrong stereochemical restraint. I modeled as
L-hydroxylproline (trans) but the phenix.refine always flipped
the hydroxyl group and ended up as L-allo-hydroxylproline
(cis).
I created a .cif file and the issue is resolved, but it
would be nice if the restraint can be fixed in the next
version of Phenix.
Thanks a lot
Yang Hai
Department of Chemistry,
University of Pennsylvnia