IMP Reference Guide
2.20.2
The Integrative Modeling Platform
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Compute the order of the docking experiments. More...
Inherits object.
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
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... | |
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.
xlinks_dict | XlinksDict class |
Definition at line 199 of file buildxlinks.py.