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You should use the same set of reflections for Rtest and Rfree. sftools for example allows you to do this. You'll also need to canonicalize the pdb file so that it has standard pdb-friendly residues (this is especially relevant for nucleic acids). Xu TAN wrote: > Hello everyone, > > In the case I want to switch from CNS to refmac for final stage > refinement of a structure, can > I just take the model(PDB) from CNS to refine against newly imported .mtz > map in refmac ? I mean, the 5% data > used as Rfree calculation would be different from the 5% used in CNS, or > should I keep using the > same 5% Rfree data as used in CNS, does this matter if I will just report > the final results out of refmac? > > Thanks a lot and happy holidays ! > > Xu Tan > University of Washington, Seattle >
