[phenixbb] phenix.phaser multiple pdbs

G Y gysubscribe at gmail.com
Mon Aug 8 03:07:07 PDT 2011


Dear all,

I am writing a bash script for running phenix.phaser automatically on an
ensemble of multiple pdbs. These pdbs have been superimposed by other tools
before running phaser.

The following is what I wrote for the ensemble part in params.eff file:

 ensemble {
   model_id = a1
   coordinates {
     pdb = model1.pdb
     pdb = model2.pdb
     pdb = model3.pdb
     pdb = model4.pdb
     rmsd = None
     identity = 0.9
   }

It runs well. When it finished, I want to confirm that it really run MR on
all four models or on a ensemble of these models. However in .log file, I
found at the refinement part it shown me:

----------
REFINEMENT
----------

   There is 1 solution to refine
   Refining solutions
   0% 100%
   |==| DONE


   Configuring ensembles
   ---------------------
   PDB file # 1: model1.pdb
      This pdb file contains 1 models
      The (input) RmsD of this model with respect to the real structure is
0.8

****************************
Does this mean that phenix.phaser only run MR with the first model? Does it
due to the way I wrote in my params.eff file? What would be the correct
way?

Many thanks!

best,
G
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