BioSimSpace.Process.createProcess#

BioSimSpace.Process.createProcess(system, protocol, engine, **kwargs)[source]#

Create a simulation process.

Parameters:
  • system (System) – The molecular system.

  • protocol (Protocol) – The protocol for the process.

  • engine (str) – The name of the simulation engine.

  • kwargs (dict) – A dictionary of optional keyword arguments neeeded by the engine.

Returns:

process – The process object for the specific simulation engine.

Return type:

Process