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IMP Reference Guide  2.21.0
The Integrative Modeling Platform
IMP.EMageFit.buildxlinks.DockOrder Class Reference

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

Inherits object.

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 171 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 207 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 188 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_dictXlinksDict class

Definition at line 199 of file buildxlinks.py.


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