[phenixbb] Sorry: Refinement of multiple models not implemented.
pafonine at lbl.gov
Thu Nov 17 07:33:50 PST 2016
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.
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 <murpholinox at gmail.com> 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?
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