[phenixbb] Creating files with positive and negative map peaks

Jennifer Ekstrom ekstrom at msu.edu
Wed Jul 23 13:22:09 PDT 2008

I would like to obtain a file with a listing of positive and negative 
difference map peaks, similar in formatting and content to the files 
that would come out of cns: 

         positive peaks in: <output_root>_positive.peaks
         negative peaks in: <output_root>_negative.peaks

We need this for use in DDQ at the jcsg validation server 
(http://www.jcsg.org/prod/scripts/validation/sv2.cgi).  Is there an easy 
way to create these peak files in phenix.refine?  We'd prefer to not 
re-refine in CNS as we have *many* alternate conformations... 

Thanks, Jennifer

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