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 62 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 73 of file buildxlinks.py.
Here is the call graph for this function:The documentation for this class was generated from the following file: