%load_ext autoreload
%autoreload 2

import molsysmt as msm

Get molecule id#

In construction.

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

ids = msm.element.molecule.get_molecule_id(molsys, element='molecule', selection='all')

len(ids)

ids = msm.element.molecule.get_molecule_id(molsys, element='molecule', selection='all',
                                           redefine_molecules=True, redefine_ids=True)

len(ids)