Re: [phenixbb] TLS refinement in phenix

They are "pseudo-ANISOU" records that contain the TLS contribution. Nothing to worry about, they are not "real" ANISOU records as in the case of anisotropic temperature factor refinement.

Now I don't understand this -:) What are the "pseudo-ANISOU", "real" ANISOU ? I think it's just good to realize which model parameterization is used and what it means, then there will be no surprise-results. TLS is a constrained anisotropic refinement. Following your "pseudo" vs "real" analogy, we can then call coordinates in ATOM records obtained after NCS constrained refinement as "pseudo-ATOM", and those obtained after regular restrained refinement as "real" ones. Pavel.