%load_ext autoreload
%autoreload 2

import molsysmt as msm

Get molecule index

In construction…

molsys = msm.convert(msm.systems['chicken villin HP35']['chicken_villin_HP35_solvated.h5msm'])

indices = msm.element.molecule.get_molecule_index(molsys, element='molecule', selection='all')

len(indices)

1236

indices = msm.element.molecule.get_molecule_index(molsys, element='atom', selection='all', redefine_indices=True, redefine_components=True)