[phenixbb] constraining alpha-helical geometry in phenix

[Ralf W. Grosse-Kunstleve]

Hi Pascal,

> I am currently refining a structure at moderate resolution (~3.4A)  
> which is mainly composed of alpha-helices . Is there a way to  
> constrain the backbone geometry of the alpha helical regions in the  
> model used for refinement.

Luca Jovine has kindly contributed a perl script that converts HBPLUS
output to phenix geometry_restraints.edits. You can find it here:

  http://www.phenix-online.org/contrib/hbplus2phenix_restraints.pl

We don't have much practical experience with this approach yet,
other that it works at a technical level. If you get a chance to
try it out, we'd be interested to know how much it helps in your
case.

Ralf