cadscore - Compare protein structures by difference between physical contacts¶

CADScore(model, reference, max_iter=300)¶

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

Parameters:	model (EntityView or EntityHandle) – The model structure. reference – The reference structure 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
Return type:	CADResult
Raises:	FileNotFound if any of the CAD score exacutables could not be located.
Raises:	RuntimeError if the calculation failed

class CADResult(globalAA, localAA)¶

Holds the result of running CAD

globalAA¶

The global CAD’s atom-atom (AA) score

localAA¶

Dictionary containing local CAD’s atom-atom (AA) scores.

Type:	dictionary (key: chain.resnum (e.g.: A.24), value: CAD local AA score (see CAD Documentation online)