This demonstrates using IMP.Restraints as additional energy terms in the Modeller scoring function, so that IMP scoring terms can be incorporated into existing comparative modeling pipelines.
16 e = modeller.Environ()
17 e.edat.dynamic_sphere =
False
18 e.libs.topology.read(
'${LIB}/top_heav.lib')
19 e.libs.parameters.read(
'${LIB}/par.lib')
20 modmodel = modeller.Model(e)
21 modmodel.build_sequence(
'GGCC')
28 atoms = IMP.atom.get_by_type(protein, IMP.atom.ATOM_TYPE)
30 atoms[0].get_particle(),
31 atoms[-1].get_particle())
36 t = modmodel.env.edat.energy_terms
40 sel = modeller.Selection(modmodel)