Hi Vincent, this looks like a very specialized task that I've never heard of before! We can add a tool to do that if this becomes something that more than one person does more than once. Meanwhile, a simple script in a language of your preference (python, linux shell, etc) should do the job. I can help with a script if needed, let me know! Also.. just curious -- what is "3D variability of this map"? Is this one map that is a composition of several map or an ensemble of maps? Pavel On 1/11/22 01:48, vincent Chaptal wrote:
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
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