PyMolMover

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PyMOLMover

PyMOLMover will send a pose to an instance of the PyMol molecular visualization software running on the local host. Each call of the mover overwrites the object in PyMol. It is not a full featured as the version built in to PyRosetta but is extremely useful for visualizing the flow of a protocol or generating a frames for a movie of a protocol.

<PyMOLMover name="&string" keep_history="(0 &bool)" />

keep_history: each call to the mover stores the pose in a new state/frame of an object in PyMol rather than overwriting it. Frames can then be played back like a movie to visualize the flow of a protocol.

The following example would send the pose to PyMol before and after packing and store the structure in 2 states/frames of the same object.

<MOVERS>
  <PyMOLMover name="pmm" keep_history="1"/>
  <PackRotamersMover name="pack"/>
</MOVERS>

<PROTOCOLS>
  <Add mover_name="pmm"/>
  <Add mover_name="pack"/>
  <Add mover_name="pmm"/>
</PROTOCOLS>

Prerequisites

To allow PyMol to listen for new poses, you need to run the following script from within PyMol, where $PATH_TO_ROSETTA is replaced by the path to you Rosetta installation.

run $PATH_TO_ROSETTA/Rosetta/main/source/src/python/PyRosetta/src/PyMOL-RosettaServer.py

PyMolMover

PyMOLMover

See Also