[phenixbb] define angle between groups of atom 'planes' for refinement restraint?

Pavel Afonine pafonine at lbl.gov
Thu Nov 10 07:55:39 PST 2011

Hi Francis,

I'm not sure it exists (unless someone added it recently). However, you 
can do this using distance restraints (custom bonds). You just need to 
figure out bonds between which atoms to create so they mimic the angle 
restraint you are interested in.


> Hi all
> I was wondering if there was language in the monomer restraint libraries (.cif) or a custom phenix.refine geometry restraint  a that defines an angle between two planes, where each plane is a group of coplanar atoms.
> Thanks!
> F

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