[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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