Hi Pavel, After refinement with TLS how should we switch to refinement with aniso individual ADPs. i know that both cannot be done simultaneously at present. Following up on Mark's question: we also have a set of structures of resolution 1.5 to 1.24 Å resolution that are good candidates for anisotropic refinement, but selecting the subset of residues to refine is not easy (for us). We can exclude loops and terminii with high isotropic ADPs, but even for the remaining well ordered parts of the protein we are left with surface residues with well ordered main chain but less well ordered side chains (e.g, Lys and Glu), which need to be refined isotropically. Also, we would like to exclude residues with alternative conformations from anisotropic refinment. At present its a fair amount of work to build up a residue selection to satisfy these requirements. -- Mark Mayer Ph.D.