diff --git a/scripts/nup84.isd.modeling.py b/scripts/nup84.isd.modeling.py index 4d31520..6842497 100644 --- a/scripts/nup84.isd.modeling.py +++ b/scripts/nup84.isd.modeling.py @@ -276,6 +276,9 @@ localization_densities=den, ensemble_file=f) m = po.add_model(c.model_group) + # Center the mmCIF model so that it's consistent with our + # PDB trajectories, which are centered in the same way + m.transform = IMP.algebra.Transformation3D(-m.geometric_center) m.name = 'Best scoring model' m.stats = s