Sorry: Refinement of multiple models not implemented.
I was looking at pdb 2d6b and I try to do a refinement with phenix. (First I generated the cif file with phenix.elbow for 202 ( https://www3.rcsb.org/ligand/202). Then I retry the refinement and I got the error "Sorry: Refinement of multiple models not implemented." How to proceed? Thanks MP
This is a deposited ensemble model. I’m not sure there is any refinement program currently that will allow you to refine this further (ensemble refinement is usually the last step in refinement at present to extract some information about dynamics).
On Nov 16, 2016, at 9:21 PM, Murpholino Peligro
wrote: I was looking at pdb 2d6b and I try to do a refinement with phenix. (First I generated the cif file with phenix.elbow for 202 (https://www3.rcsb.org/ligand/202). Then I retry the refinement and I got the error "Sorry: Refinement of multiple models not implemented."
How to proceed?
Thanks
MP _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
-- Paul Adams Division Director, Molecular Biophysics & Integrated Bioimaging, Lawrence Berkeley Lab Division Deputy for Biosciences, Advanced Light Source, Lawrence Berkeley Lab Adjunct Professor, Department of Bioengineering, U.C. Berkeley Vice President for Technology, the Joint BioEnergy Institute Laboratory Research Manager, ENIGMA Science Focus Area Building 33, Room 347 Building 80, Room 247 Building 978, Room 4126 Tel: 1-510-486-4225, Fax: 1-510-486-5909 http://cci.lbl.gov/paul Lawrence Berkeley Laboratory 1 Cyclotron Road BLDG 33R0345 Berkeley, CA 94720, USA. Executive Assistant: Louise Benvenue [ [email protected] ][ 1-510-495-2506 ] --
A possibility to try may be to convert this multi-MODEL model into multi-chain model (each MODEL would become a chain), then assign each chain occupancy=1/number_of_models, and then try doing refinement making sure one group occupancy is refined per each chain. Technically this should run, but I can't predict how meaningful the result is going to be. Pavel On 11/16/16 23:29, Paul Adams wrote:
This is a deposited ensemble model. I’m not sure there is any refinement program currently that will allow you to refine this further (ensemble refinement is usually the last step in refinement at present to extract some information about dynamics).
On Nov 16, 2016, at 9:21 PM, Murpholino Peligro
wrote: I was looking at pdb 2d6b and I try to do a refinement with phenix. (First I generated the cif file with phenix.elbow for 202 (https://www3.rcsb.org/ligand/202). Then I retry the refinement and I got the error "Sorry: Refinement of multiple models not implemented."
How to proceed?
Thanks
MP _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb Unsubscribe: [email protected]
participants (3)
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Murpholino Peligro
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Paul Adams
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Pavel Afonine