[phenixbb] Real Space CC Raw Data

Nathaniel Echols nechols at lbl.gov
Fri Dec 7 07:23:20 PST 2012

On Fri, Dec 7, 2012 at 7:06 AM, Eddie Pryor <edward.pryor at gmail.com> wrote:
> 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.


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