Re: [phenixbb] geometry weight and rmsd bonds - angles

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. Ralf