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Phenix: Difference between revisions
→Using a reference model
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A good idea if refinement is done at low resolution but a high resolution model is available. | A good idea if refinement is done at low resolution but a high resolution model is available. | ||
phenix.refine data.hkl model.pdb main.reference_model_restraints=True reference_model.file=reference.pdb | phenix.refine data.hkl model.pdb main.reference_model_restraints=True \ | ||
reference_model.file=reference.pdb | |||
Use reference_model.sigma=0.5 to tighten the restraints (default 1.0 Angstrom), and use reference_model.limit=30 to enlarge the limit (default 15 degrees) up to which the reference torsion angle will be used. | Use reference_model.sigma=0.5 to tighten the restraints (default 1.0 Angstrom), and use reference_model.limit=30 to enlarge the limit (default 15 degrees) up to which the reference torsion angle will be used. | ||