#-- File: em_restraint.py --# import IMP import IMP.restrainer # Create restrainer object restrainer = IMP.restrainer.Main() # Add representation and restraint to restrainer rep = restrainer.add_representation(IMP.restrainer.get_example_path('input/em_representation.xml')) rsr = restrainer.add_restraint(IMP.restrainer.get_example_path('input/em_restraint.xml')) ###=======================================================================### # At this point all data from XML files have been placed into the model. # Now it is possible to perform various operations on the IMP model. ###=======================================================================### # Get the IMP model object used by restrainer model = restrainer.model() # Get restraint by name r = rsr.get_restraint_by_name('em_restraint') # Get EM density map header from the restraint dmap_header = r.dmap_header # Get IMP::em::FitRestraint fit_restraint = r.imp_restraint fit_restraint.evaluate(False)