14 Mar
2013
14 Mar
'13
9:37 p.m.
On Thu, Mar 14, 2013 at 1:47 PM, Ethayathulla A.S
I want to do DEN twin-refinement using phenix. For my data phenix.DEN works better than CNS DEN. I want to DEN with twinning. Is there script for adding twinning operator for DEN refinement in phenix
phenix.den_refine model.pdb data.mtz den.reference_file=reference.pdb
twin_law=h,-k,-l (or whatever the twin law actually is) phenix.den_refine is basically just a derivative of phenix.refine with a few customizations - nearly all of the parameters are identical otherwise, so the phenix.refine documentation should still be valid for most options. -Nat