[phenixbb] Can geometry restraints include non-ideal target values?

William Scott wgscott at chemistry.ucsc.edu
Wed Dec 5 08:12:14 PST 2007

I have used 3 programs to refine RNA structures recently: CNS, Refmac and

Of these, only CNS has the temerity to enforce what it thinks is a correct
sugar pucker to the extent that it will pull atoms out of the electron
density. Refmac and Phenix both do a much better job of refining
non-canonical sugar puckers in RNA in my experience.

Joe Krahn wrote:
> I see that phenix is using the same kind of simplistic statistical
> restraints as CCP4. Are there plans to improve the geometry restraints
> once the rest of phenix is stable?

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