[phenixbb] coordination of metal ions

Jesper Lykkegaard Karlsen jelka at bioxray.dk
Thu Mar 29 07:25:50 PDT 2007

Dear Phenix-devels

Is it possible set up geometric restrains for metal ions bound to 
protein in phenix.refine?
elbow.builder seems only to work on separate molecules and not on metal 
ions with its coordinating sidechains.
I found the feature to introduce custom bond distance between two atoms, 
but what about custom angles?
And by the way will this these custom setting ignore Van Der Waals 
radii? or is there a way to set these for special atoms?



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