[phenixbb] Low resolution structure

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Sat Mar 13 10:51:39 PST 2010


Hi Kendall,

> Thanks for getting back to me. I think this could be quite useful,
> if for example you wanted to fix one end of a helix and allow the
> other end to move around during rigid body refinement. In my case,
> I'd ideally like to fix one end, and also limit the disulfide bond
> in the middle of the helix to some range (2-3 angstroms?). Any chance
> of this in the future?

Not very soon, I'm afraid.
It will require a lot of tricky special-case code to maintain the
constraints.

Ralf



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