On Wed, Jun 30, 2010 at 10:59 AM, Pavel Afonine <[email protected]> wrote:
> I am refining a structure at 2.25 A using Phenix.refine. I am using TLS > parameters for refinement but as i use TLS, phenix does individual > anisotropic refinemnt also. > > No, it doesn't: it does not do "individual anisotropic refinement" unless > you specifically asked for this. > It does, however, print out individual ANISOU records at the end of refinement - but these are extracted from the TLS groups, not refined individually. If you absolutely must get rid of them, "grep -v ANISOU refined_file.pdb > new_file.pdb" will do the trick, but personally, I always like to look at the ellipsoids in PyMOL or Coot anyway, to see what the TLS groups are doing. -Nat
