IMP.em2d.buildxlinks.DockOrder Class Reference

Compute the order of the docking experiments. More...

Inherits object.

Public Member Functions
def	get_docking_order
	return the order to dock components from the cross links
def	set_components_and_connections
	Instead of setting the xlink restraints, init the graph directly Example of what to pass with the structure in 3sfd G.add_nodes_from(["A", "B", "C", "D"]) G.add_edges_from([("B","C"), ("B","A"), ("B","D"), ("C","D")]) ("B","C") means that there are cross-links between B and C.
def	set_xlinks
	Sets the xlinks used for computing the docking order. More...

Detailed Description

The order is derived from the cross-linking restraints: 1) The subunit with the highest number of cross-linkns with others works as the first receptor (A) 2) All the subunits cross-linked with A are docked into A. 3) The next receptor (B) is the subunit that has the highest number of cross-links after A. 4) All the subunits cross-linked to B are docked into B (expect A) 5) The procedure is repeated until there are no more cross-links

Note

This class is only available in Python.

Definition at line 174 of file buildxlinks.py.

Member Function Documentation

def IMP.em2d.buildxlinks.DockOrder.set_xlinks	(		self,
			xlinks_dict
	)

Parameters

xlinks_dict

XlinksDict class

Definition at line 201 of file buildxlinks.py.

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

• buildxlinks.py