[phenixbb] Wrong stereochemical restraint of Hyp

YANG HAI yanghai at sas.upenn.edu
Mon Mar 7 10:44:44 PST 2016

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

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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