[phenixbb] Imposing bond restraints across the asymmetric unit
pafonine at lbl.gov
Fri May 22 15:52:29 PDT 2020
> 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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