[phenixbb] Problems running phenix.rosetta_refine

Klose, Thomas tklose at purdue.edu
Thu May 28 11:59:12 PDT 2015

Dear all,

I was trying to set up phenix.rosetta_refine to test it for the refinement of a 4.5Å structure. I installed the latest phenix release and compiled the latest rosetta version (2015.19) using rosetta.build_phenix_interface. However, when I try to run phenix.rosetta_refine I get the following error message:

Generating 5 models on 4 processors...

DEBUG dumping error message
ERROR: Rosetta exited with status 1
stderr output:

Wrong map type requested: %%map_type%%
  Allowed format is: [p][m]Fo+[q][D]Fc[kick][filled]
    where [p] and [q] are any numbers (optional),
          [m] and [D] indicate if the requested map is sigmaa (optional),
          Fo and Fc are Fobs and Fcalc,
          [kick] is for Average Kick Map (optional),
          [filled] is for missing Fobs filled map.
  Examples: 2mFo-DFc, 3.2Fo-2.3Fc, mFobs-DFcalc_kick, 2mFobs-DFcalc_filled, Fc,
            2mFobs-DFcalc_kick_fill, anom, anom_diff, anomalous_difference, Fo

ERROR: PhenixInterface::calculateDensityMap() : error writing map
ERROR:: Exit from: src/core/scoring/cryst/PhenixInterface.cc line: 1122

This happens with our actual data as well as test data that I downloaded (PDB: 1yip).

Any help in solving this problem would be greatly appreciated.


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