[phenixbb] refinement of an ensemble of structures -> cryoEM variability
vincent Chaptal
vincent.chaptal at ibcp.fr
Tue Jan 11 01:48:47 PST 2022
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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