ligand_scoring.py File Reference

Go to the source code of this file.

Data Structures
class	LigandScorer
class	NoSymmetryError
class	TooManySymmetriesError
class	DisconnectedGraphError

Namespaces
	ost.mol.alg.ligand_scoring

Functions
def	SCRMSD (model_ligand, target_ligand, transformation=geom.Mat4(), substructure_match=False, max_symmetries=1e6)