[phenixbb] Restraints on dihedrals in phenix.refine

Pavel Afonine PAfonine at lbl.gov
Fri Apr 2 08:02:23 PDT 2010

Hi Gregers,

> in the standard phenix.refine scripts there are options for adding 
> user defined restraints on bonds and angles, but not on dihedrals. 

you can define bonds and angles for any selected atoms as described in 
"Definition of custom bonds and angles" section of phenix.refine 


> Is this currently possible in phenix.refine? One application would be 
> to restrain the phi-psi angles of a low resolution structure to 
> phi-psi angles from a high-res structure of the same protein, 

The work on this option is in progress (Jeff - is it available ?).

phenix.refine has secondary structure restraints option that may be 
useful if you are refining at low resolution.


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