%load_ext autoreload
%autoreload 2

import molsysmt as msm

Has hydrogens

molsys = msm.convert(msm.systems['T4 lysozyme L99A']['181l.h5msm'], to_form='molsysmt.MolSys')

msm.get(molsys, selection='atom_type=="H"', n_atoms=True)

0

msm.build.has_hydrogens(molsys)

False

msm.build.has_hydrogens(molsys, selection='molecule_type=="protein"')

False

molsys = msm.build.add_missing_terminal_cappings(molsys)
molsys = msm.build.add_missing_heavy_atoms(molsys)
molsys = msm.build.add_missing_hydrogens(molsys)

msm.build.has_hydrogens(molsys)

True

msm.build.has_hydrogens(molsys, selection='molecule_type=="protein"')

True