21 Feb
2008
21 Feb
'08
6:18 p.m.
The real question is then how to reduce the rmsd after using phenix.reduce. Jianghai On Feb 21, 2008, at 12:21 PM, Ralf W. Grosse-Kunstleve wrote:
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 _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb