On Fri, Dec 16, 2011 at 7:54 AM, Da Duan <[email protected]> wrote:
I was just looking at the average B in the refinement log files from Refmac and Phenix Refine. Thanks for the clarification on how Refmac and Phenix calculate the average B. My next question is when depositing the structure, is it more common to deposit structures with the "residual" B-factors or B-factors generated by Phenix that includes the TLS and Ucryst contribution? I also performed sfcheck and the average B generated by the Wilson plot is ~100 which seems to suggest that the Phenix average B is probably "more" correct?
I had thought that the PDB automatically converted Refmac PDB files to contain full B-factors, but the link Ed posted suggests otherwise. If you are depositing the output file from Phenix, at least, you do not need to take any additional steps. -Nat