7 from __future__
import print_function
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')
24 feat = modeller.features.distance(modmodel.atoms[0], modmodel.atoms[-1])
25 r = modeller.forms.gaussian(feature=feat, mean=10.0, stdev=1.0,
26 group=modeller.physical.xy_distance)
27 modmodel.restraints.add(r)
32 atoms = IMP.atom.get_by_type(protein, IMP.atom.ATOM_TYPE)
40 print(sf.evaluate(
False))
Strings setup_from_argv(const Strings &argv, std::string description, std::string positional_description, int num_positional)
Create a scoring function on a list of restraints.
An IMP restraint using all defined Modeller restraints.
Class for storing model, its restraints, constraints, and particles.
Interface to the Modeller comparative modeling package.
Read a Modeller model into IMP.