Classes to manage a model using DOMINO. More...

Detailed Description

Classes to manage a model using DOMINO.

Classes
class	DominoModel
	Management of a model using DOMINO. More...

Functions
def	anchor_assembly
	"Anchor" a set of rigid bodies, by setting the position of one of them at the origin (0,0,0). More...

def	get_coordinates
	Return a list of the coordinates of all the members of the rigid bodies. More...

def	measure_model
	Get the drms, cdrms and crmsd for a model. More...

Function Documentation

def IMP.EMageFit.domino_model.anchor_assembly	(	components_rbs,
		anchored
	)

"Anchor" a set of rigid bodies, by setting the position of one of them at the origin (0,0,0).

Parameters

components_rbs	Rigid bodies of the components
anchored	- List of True/False values indicating if the components of the assembly are anchored. The function sets the FIRST anchored component in the (0,0,0) coordinate and moves the other components with the same translation. If all the values are False, the function does not do anything

Definition at line 1016 of file domino_model.py.

def IMP.EMageFit.domino_model.get_coordinates ( rigid_bodies )

Return a list of the coordinates of all the members of the rigid bodies.

Definition at line 1073 of file domino_model.py.

def IMP.EMageFit.domino_model.measure_model	(	assembly,
		native_assembly,
		rbs,
		native_rbs
	)

Get the drms, cdrms and crmsd for a model.

Parameters

assembly	Hierarchy for an assembly
native_assembly	Hierarchy of the native structure
rbs	Rigid bodies for the components of the assembly
native_rbs	Rigid bodies for the components of the native structure

Returns

cdrms, cdrms, crmsd

drms - typical drms measure
cdrms - drms for the centroids of the rigid bodies of the components of the assembly
crmsd - rmsd for the centroids

Definition at line 1047 of file domino_model.py.