The script shows how to assess a protein conformation using DOPE.
4 from __future__
import print_function
12 def create_representation():
16 prot = IMP.atom.get_by_type(mp0, IMP.atom.CHAIN_TYPE)[0]
20 def add_dope(m, prot):
21 ps = IMP.atom.get_by_type(prot, IMP.atom.ATOM_TYPE)
29 dpc.add_pair_filter(f)
36 print(
"creating representation")
37 (m, prot) = create_representation()
39 print(
"creating DOPE score function")
43 print(
"DOPE SCORE ::", d.evaluate(
False))