Hi, thanks for letting us know. Could you please send us the PDB file and correct CIF file? Please send files to me and Nigel (not all list). Pavel On 3/7/16 10:44, YANG HAI wrote:
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
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