IMP.EMageFit.buildxlinks.DockOrder Class Reference

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

Detailed Description

Compute the order of the docking experiments.

The order is derived from the cross-linking restraints: 1) The subunit with the highest number of cross-links 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 (except A) 5) The procedure is repeated until there are no more cross-links

Note

This class is only available in Python.

Definition at line 166 of file buildxlinks.py.

Public Member Functions
def	get_docking_order
	return the order to dock components from the cross links More...
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. More...
def	set_xlinks
	Sets the xlinks used for computing the docking order. More...

Member Function Documentation

def IMP.EMageFit.buildxlinks.DockOrder.get_docking_order

(

self

)

return the order to dock components from the cross links

Definition at line 202 of file buildxlinks.py.

def IMP.EMageFit.buildxlinks.DockOrder.set_components_and_connections	(		self,
			subunits,
			edges
	)

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.

Definition at line 183 of file buildxlinks.py.

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

Sets the xlinks used for computing the docking order.

Parameters

xlinks_dict

XlinksDict class

Definition at line 194 of file buildxlinks.py.

---

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

• buildxlinks.py