%load_ext autoreload
%autoreload 2
import molsysmt as msm
Get entity index#
AAA
molsys = msm.convert(msm.systems['chicken villin HP35']['chicken_villin_HP35_solvated.h5msm'])
indices = msm.element.entity.get_entity_index(molsys, element='entity', selection='all',
redefine_molecules=False, redefine_indices=False)
indices
[0, 1, 2]
indices = msm.element.entity.get_entity_index(molsys, element='entity', selection='all',
redefine_molecules=False, redefine_indices=True)
indices
[0, 1, 2]