[phenixbb] Ramachandran and clashes
pafonine at lbl.gov
Tue Jul 23 08:25:59 PDT 2013
> Hi Pavel
> According to your mail from yesterday I wonder how can I treat
> Ramachandran outliers in very large molecules (close to 9000 residues).
- fix them manually first and then run refinement;
- if after refinement some of them come back as outliers then you
consider them for including into Ramachandran restraints.
Ramachandran restraints are good at keeping correct conformation from
becoming an outlier (due to poor density for instance), and NOT for
fixing wrong one.
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