21 Feb
2008
21 Feb
'08
5:21 p.m.
Shouldn't the hydrogen atoms be added with perfect geometry?
Hi Jianghai, phenix.refine uses the monomer library definitions, phenix.reduce has its own internal database. Since nobody really knows what "perfect" is, these (probably) don't agree exactly (but I haven't actually checked). BTW: older versions of phenix.refine reported mean deviations instead of root-mean-squared deviations. This could be another source of mismatching numbers. Ralf