[phenixbb] calculate map from ensemble refinement

Bard, Joel Joel.Bard at pfizer.com
Tue Jul 23 08:05:47 PDT 2013


I ran phenix.ensemble refinement which worked very nicely but crashed during map output.  I think this was my fault for using a parameter file that had map_type = None (I didn't look and assumed the default was reasonable).  I would like to calculate maps after the fact.  Is there a way to run the map calculation on the output ensemble pdb file and reflection data?  I tried phenix.maps which choked on the huge ensemble.



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