%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
0 0 peptide 0 peptide
1 1 water water
2 2 water water
3 3 water water
4 4 water water
... ... ... ...
1274 1274 water water
1275 1275 water water
1276 1276 water water
1277 1277 CL ion
1278 1278 CL ion

1279 rows × 3 columns

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