[phenixbb] Imposing bond restraints across the asymmetric unit

Pavel Afonine pafonine at lbl.gov
Fri May 22 15:52:29 PDT 2020

Hi Brandon,

> I have an unusual problem in which my enzyme (a dimer) is covalently 
> bound to its own C-terminus and so is daisy-chained across the crystal 
> lattice. In the past, I have encountered and fixed this problem by 
> extracting the covalent part of the molecule and re-phasing using that 
> as the molecular replacement model. In this case, I am not able to due 
> so. When I input the restraints, it either crashes refine or attempts 
> to impose them on the corresponding residues within the ASU 
> (understandable) but they are quite distal and this leads to 
> "interesting" refinement results. Is there a good way of making 
> phenix.refine do what I want? Or perhaps a workaround that I haven't 
> considered yet?

this should be possible but I don't remember what it takes. If you send 
me the file I might be able to figure this out.

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