Hi,
On Tue, Oct 4, 2011 at 1:55 PM, Brigitte Ziervogel <[email protected]
> wrote:
> (...)
> Any suggestions or ideas of better ways to score ligand fits are
> appreciated, thanks.
>
another alternative:
phenix.model_vs_data model.pdb data.mtz comprehensive=true
will list triplet of numbers: {map CC, 2mFo-DFc value, mFo-DFc value} for
each atom or residues in your structure. Low map CC, low 2mFo-DFc density
value, or /and significantly non-zero mFo-DFc values will point out
problems.
More info:
http://www.phenix-online.org/documentation/model_vs_data.htm
Let me know if you have questions,
Pavel
