%load_ext autoreload
%autoreload 2
import molsysmt as msm
Get entity name#
AAA
molsys = msm.convert(msm.systems['chicken villin HP35']['chicken_villin_HP35_solvated.h5msm'])
name = msm.element.entity.get_entity_name(molsys, element='entity', selection='all',
redefine_entities=False, redefine_names=True)
name
['peptide 0', 'water', 'CL']
name = msm.element.entity.get_entity_name(molsys, element='entity', selection='all',
redefine_entities=False, redefine_names=False)
name
['VILLIN', 'water', 'CL']