ost.bindings.cadscore Namespace Reference

Data Structures
class	CADResult

Functions
def	CADScore

Function Documentation

def ost.bindings.cadscore.CADScore	(		model,
			reference,
			max_iter = 300
	)

Calculates global and local atom-atom (AA) CAD Scores


:param model: The model structure. 
:type model: :class:`~ost.mol.EntityView` or :class:`~ost.mol.EntityHandle`
:param reference: The reference structure
:type model2: :class:`~ost.mol.EntityView` or :class:`~ost.mol.EntityHandle`
:param max_iter: Optional. The maximum number of iteration for the tessellation algorithm before giving up. By default 300
:returns: The result of the CAD score calculation
:rtype: :class:`CADResult`

:raises: :class:`~ost.settings.FileNotFound` if any of the CAD score exacutables could not be located.
:raises: :class:`RuntimeError` if the calculation failed

Definition at line 134 of file cadscore.py.