Re: [ccp4bb] Hydrogen Bond Restraints

2010-04-14 Thread Pavel Afonine
Or Andrei's PhD thesis: http://rna.ucsc.edu/~andrei/korostelev_disser.PDF which as far as I recall contains some more technical details. Pavel. On 4/14/10 12:49 PM, Donnie Berkholz wrote: On 09:41 Wed 14 Apr , Bradley Hintze wrote: I am looking for published examples where hydrogen b

Re: [ccp4bb] Hydrogen Bond Restraints

2010-04-14 Thread Donnie Berkholz
On 09:41 Wed 14 Apr , Bradley Hintze wrote: > I am looking for published examples where hydrogen bond restraints > were helpful in refinement. Can anyone point me to some papers? Try this one: "An improved hydrogen bond potential: Impact on medium resolution protein structures." Felcy Fabiol

Re: [ccp4bb] Hydrogen Bond Restraints

2010-04-14 Thread Dirk Kostrewa
Dear Bradley, a recent refinement of a protein complex at 4.3 A was stabilized by using hydrogen bond restraints in secondary structures [1] (described in the supplementary material). Subjectively, the additional restraints had a small positive effect on the electron density interpretability o

[ccp4bb] Hydrogen Bond Restraints

2010-04-14 Thread Bradley Hintze
I am looking for published examples where hydrogen bond restraints were helpful in refinement. Can anyone point me to some papers? -- Bradley J. Hintze Graduate Student Duke University School of Medicine 801-712-8799