[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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