This demonstrates reading in an existing Modeller model, and converting the Modeller restraints (both static and dynamic) into equivalent IMP restraints.
11 e = modeller.environ()
12 e.edat.dynamic_sphere =
True
13 e.libs.topology.read(
'${LIB}/top_heav.lib')
14 e.libs.parameters.read(
'${LIB}/par.lib')
15 modmodel = modeller.model(e)
16 modmodel.build_sequence(
'GGCC')
18 sel = modeller.selection(modmodel)
19 modmodel.restraints.make(sel, restraint_type=
'STEREO', spline_on_site=
False)
25 protein = loader.load_atoms(m)
28 for r
in loader.load_static_restraints():
33 for r
in loader.load_dynamic_restraints():
36 print m.evaluate(
False)