[phenixbb] ramachanran plot refinement or restraint?
Frank von Delft
frank.vondelft at sgc.ox.ac.uk
Thu Jul 26 01:38:46 PDT 2007
Jianghai Zhu wrote:
> Adding riding hydrogens into the structure was a powerful validation
> tool. But now we all add riding hydrogens into the refinement since it
> makes the refinement better. At the same time, we lose some power in
> the validation. We still think it is worth doing so, don't we?
No: they are RIDING hydrogens, they do not influence the refinement
(i.e. bumps), only the Rfactors/maps. Which is not the same as you ask
for with the phi/psi angles.
In general, if your model is correct (and the error can be a few
residues away), the backbone won't move around, even at low resolution.
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