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Saving and Restoring Molecule State

Molecule and MoleculeRep instances can be saved used the pickle module from the Python standard library. Molecules will be saved with information about their name, files, and reps. The files themselves are not saved with the molecule; they will be reloaded when the molecule instance is recreated using pickle.load(). MoleculeRep instances can also be pickled; when restored they will be unassigned to any Molecules.



vmd@ks.uiuc.edu