Docking mover

[Anonymous]

Hello, I have been reviewing the docking movers to perform both types, global and local. I have been testing them for a while now and with the active options to perform the global docking first, very little movement and exploration of the protein is observed in the output, the disturbances are practically local instead of global, this occurs both for DockingProtocol Mover and for Docking Mover. Would I have to first use DockingInitialPerturbation Mover or else use global docking flags and then use DockingProtocol or Docking for local?

[Anonymous]

For Global docking,  I would checkout RifDock.  I agree, the centroid-based, low-resolution docking does not move much. 

Might take some effort setting up, but it has been used for a lot of work thus far: https://github.com/rifdock/rifdock

[Author]

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