The "Change this to CAs or heavy atoms" is exactly what I want to do, but I have no idea how to do it. If this were command line in Chimera, I'd use something like "select #0:3-55@CA". I know there's a "runCommand" function that can be included (using "from chimera import runCommand"). Is this used in some way to set subSelection, and if so, how?def main():import chimeramodelList = chimera.openModels.list(modelTypes=[chimera.Molecule])subSelection = None # Change this to CAs or heavy atomsclusterInfo = _cluster(modelList, subSelection)saveReps(clusterInfo, "reps.pdb") # Change file name if needed
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Laura C. Morris
Scientific Computing Professional
Edison & Prestegard Labs
Complex Carbohydrate Research Center
706-542-6286 (lab 1075)