[phenixbb] geometry weight and rmsd bonds - angles

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Thu Aug 12 07:14:27 PDT 2010

Hi Lionel,

> wxc_scale (from default 0.5 downto 0.015),  wxu_scale (from default 1 down
> to 0.03), wc (from default 1 up to 8), with and without optimising wxc wxu.
> Whatever the parameters, phenix never reached final rmsd better than 0.022
> and 2.2.

The first thing I'd check is the phenix.refine log with the list
of worst restraints. Look for "Sorted by residual". Without
having seen your structure, my first suspect would be problems
with the ligand restraints or the covalent link to the protein.


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