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# %load_ext autoreload
# %autoreload 2

import molsysmt as msm

pdb_file = msm.demo_systems.files['1brs.pdb']

system = msm.convert(pdb_file, 'mdanalysis.Topology')

msm.get(system, target='atom', molecule_index=True)

msm.get(system, target='molecule', molecule_index=True)

msm.get(system, target='atom', indices=[0,1,2], n_molecules=True)



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