ligand_scoring_base.py File Reference

Go to the source code of this file.

Data Structures
class	LigandScorer
class	NoSymmetryError
class	NoIsomorphicSymmetryError
class	TooManySymmetriesError
class	DisconnectedGraphError

Namespaces
namespace	ost
namespace	ost::mol
namespace	ost::mol::alg
namespace	ost.mol.alg.ligand_scoring_base

Functions
	_SinkVerbosityLevel (n=1)
	_QualifiedAtomNotation (a)
	_QualifiedResidueNotation (r)
	_ResidueToGraph (residue, by_atom_index=False)
	ComputeSymmetries (model_ligand, target_ligand, substructure_match=False, by_atom_index=False, return_symmetries=True, max_symmetries=1e6, model_graph=None, target_graph=None)