On Fri, Dec 7, 2012 at 7:06 AM, Eddie Pryor
To satisfy a reviewer, I would like to include a supplemental figure that contains, among other things, Real Space CC for each residue. I was wondering where this raw data might be stored so that I can parse and create a graph with it. The only thing I could find was in the Refine_###_info.txt log file, but that only included values less than 0.7. I know that all of the residues / CC values can be listed through the GUI, but with ~900 residues in my ASU, this is something I do not want to do manually!
Sorry, making it easier to obtain the raw numbers has been on my to-do list for a while. For now, I think you should be able to calculate them manually by running this: phenix.real_space_correlation model.pdb data.mtz detail=residue But for the future, I will modify the GUI to output these numbers to a text file. -Nat