%load_ext autoreload
%autoreload 2
import molsysmt as msm

Get component name#

AAA

molsys = msm.convert(msm.systems['chicken villin HP35']['chicken_villin_HP35_solvated.h5msm'])
molsys.topology.components
component_id component_name component_type molecule_index
0 0 VILLIN peptide 0
1 1 water water 1
2 2 water water 2
3 3 water water 3
4 4 water water 4
... ... ... ... ...
1231 1231 water water 1231
1232 1232 water water 1232
1233 1233 water water 1233
1234 1234 CL ion 1234
1235 1235 CL ion 1235

1236 rows × 4 columns

name = msm.element.component.get_component_name(molsys, element='component', selection='all',
                                                redefine_indices=True, redefine_names=True)
name[0]
'peptide 0'