Compute the RMSD (without alignment) taking into account the copy ambiguity. More...

Detailed Description

Compute the RMSD (without alignment) taking into account the copy ambiguity.

To be used with pmi2 hierarchies. Can be used for instance as follows:

rmsd = IMP.pmi.analysis.RMSD( hier, hier, [mol.get_name() for mol in mols], dynamic0=True, dynamic1=False) output_objects.append(rmsd)

before shuffling the coordinates

Definition at line 461 of file pmi/Analysis.py.

Public Member Functions
def	__init__

def	get_moldict_coorddict
	return data structure for the RMSD calculation More...

def	get_output
	Returns output for IMP.pmi.output.Output object. More...

Constructor & Destructor Documentation

def IMP.pmi.analysis.RMSD.__init__	(	self,
		hier0,
		hier1,
		molnames,
		label = `'None'`,
		dynamic0 = `True`,
		dynamic1 = `True`,
		metric = `IMP.algebra.get_rmsd`
	)

Parameters

hier0	first input hierarchy
hier1	second input hierarchy
molnames	the names of the molecules used for the RMSD if True stores the decorators XYZ and coordinates of hier0 can be update. If false coordinates are static (stored in Vector3Ds) and will never be updated same as above metric what metric should be used

Definition at line 474 of file pmi/Analysis.py.

def IMP.pmi.analysis.RMSD.get_moldict_coorddict	(	self,
		hier,
		molnames
	)

return data structure for the RMSD calculation

Definition at line 495 of file pmi/Analysis.py.

def IMP.pmi.analysis.RMSD.get_output ( self )

Returns output for IMP.pmi.output.Output object.

Definition at line 579 of file pmi/Analysis.py.

The documentation for this class was generated from the following file: