[phenixbb] refinement of an ensemble of structures -> cryoEM variability

[vincent Chaptal]

Hi Phenix-ers,

I thought to ask for something that I believe you have already 
implemented, but I'm not sure of the best tool to use.

I have a cryoEM map where I refine my "high resolution" structure. I 
also have the 3D variability of this map that shows several maps varying 
around the consensus high-res map. I want to refine an ensemble (20) of 
structures, one for every 20 maps around the consensus map.
Is there a tool in phenix to do this?

I could refine individually the high-res structure into each map 
incrementally; since every map differs a little from the original one, 
Real-space-refinement could move the structure a little at a time. Then 
I could combine all the PDBs in an ensemble?
A tool to refine variability would be very useful. Input could be a PDB 
and an ensemble of maps, and output would be all the PDBs combined?

Thank you.

All the best
Vincent


-- 

Vincent Chaptal, PhD

Director of GdR APPICOM

Drug Resistance and Membrane Proteins Lab


MMSB -UMR5086

7 passage du Vercors

69007 LYON

FRANCE

+33 4 37 65 29 01

http://www.appicom.cnrs.fr

http://mmsb.cnrs.fr/en/

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