molsysmt.hbonds package#

Submodules#

molsysmt.hbonds.get_acceptor_atoms module#

molsysmt.hbonds.get_acceptor_atoms.get_acceptor_atoms(molecular_system, selection='all', inclusion_rules=None, exclusion_rules=None, default_inclusion_rules=True, default_exclusion_rules=True, syntax='MolSysMT')[source]#

molsysmt.hbonds.get_buch_hbonds module#

molsysmt.hbonds.get_buch_hbonds.get_buch_hbonds(molecular_system, selection='all', acceptors=None, donors=None, structure_indices='all', molecular_system_2=None, selection_2=None, acceptors_2=None, donors_2=None, structure_indices_2=None, distance_threshold='2.3 angstroms', pbc=True, syntax='MolSysMT', skip_digestion=False)[source]#

molsysmt.hbonds.get_donor_atoms module#

molsysmt.hbonds.get_donor_atoms.get_donor_atoms(molecular_system, selection='all', inclusion_rules=None, exclusion_rules=None, default_inclusion_rules=True, default_exclusion_rules=True, syntax='MolSysMT')[source]#

molsysmt.hbonds.get_luzard_chandler_hbonds module#

molsysmt.hbonds.get_luzard_chandler_hbonds.get_luzard_chandler_hbonds(molecular_system, selection='all', acceptors=None, donors=None, structure_indices='all', molecular_system_2=None, selection_2=None, acceptors_2=None, donors_2=None, structure_indices_2=None, distance_threshold='3.5 angstroms', angle_threshold='30 degrees', pbc=True, syntax='MolSysMT')[source]#

Module contents#