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When qfit_protein is run on 2NLV, multiconformer_model2 has A-E conformations for Tyr18, Chain A. A and B conf are identical (RMSD-0) but not collapsed in the output. Replicate as below:
Pull from dev:
In the original 2nlv.pdb, remove alternate conformation B in residues 17,18 and 77 for both chains
Do 5 rounds of refinement in phenix using the model from step 1
Create a composite omit map using 2nlv.mtz in phenix
Run qfit_protein using the composite omit map and refined 2nlb model file like such:
When qfit_protein is run on 2NLV, multiconformer_model2 has A-E conformations for Tyr18, Chain A. A and B conf are identical (RMSD-0) but not collapsed in the output. Replicate as below:
Pull from dev:
In the original 2nlv.pdb, remove alternate conformation B in residues 17,18 and 77 for both chains
Do 5 rounds of refinement in phenix using the model from step 1
Create a composite omit map using 2nlv.mtz in phenix
Run qfit_protein using the composite omit map and refined 2nlb model file like such:
qfit_protein composite_omit_map.mtz -l 2FOFCWT,PH2FOFCWT 2nlv_refine_001_refine_003.pdb
Output file attached
multiconformer_model2.txt
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