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)
A Modeller restraint which evaluates an IMP scoring function.
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Distance restraint between two particles.
Class for storing model, its restraints, constraints, and particles.
Interface to the Modeller comparative modeling package.
Basic functionality that is expected to be used by a wide variety of IMP users.
Read a Modeller model into IMP.
Harmonic function (symmetric about the mean)