9 def create_representation():
17 def add_dope(m, prot):
26 dpc.add_pair_filter(f)
33 print "creating representation"
34 (m, prot) = create_representation()
36 print "creating DOPE score function"
40 print "DOPE SCORE ::", m.evaluate(
False)
Select non water and non hydrogen atoms.
Various classes to hold sets of particles.
void set_check_level(CheckLevel tf)
Control runtime checks in the code.
std::string get_example_path(std::string file_name)
Return the path to installed example data for this module.
Return all close unordered pairs of particles taken from the SingletonContainer.
Hierarchies get_by_type(Hierarchy mhd, GetByType t)
static bool get_is_setup(const IMP::kernel::ParticleAdaptor &p)
void add_dope_score_data(atom::Hierarchy h)
Functionality for loading, creating, manipulating and scoring atomic structures.
void read_pdb(base::TextInput input, int model, Hierarchy h)
Applies a PairScore to each Pair in a list.
Class for storing model, its restraints, constraints, and particles.