molsysmt.topology package#

Submodules#

molsysmt.topology.get_bondgraph module#

molsysmt.topology.get_bondgraph.get_bondgraph(molecular_system, nodes_name='atom_index', selection='all', syntax='MolSysMT', to_form='networkx.Graph')[source]#: To be written soon…

molsysmt.topology.get_covalent_blocks module#

molsysmt.topology.get_covalent_blocks.get_covalent_blocks(molecular_system, selection='all', remove_bonds=None, output_type='sets', syntax='MolSysMT')[source]#: To be written soon…

molsysmt.topology.get_covalent_chains module#

molsysmt.topology.get_covalent_chains.get_covalent_chains(molecular_system, chain=None, selection='all', syntax='MolSysMT')[source]#: To be written soon…

molsysmt.topology.get_dihedral_quartets module#

molsysmt.topology.get_dihedral_quartets.get_dihedral_quartets(molecular_system, with_blocks=False, selection='all', syntax='MolSysMT', **kwargs)[source]#: To be written soon…

molsysmt.topology.get_sequence_alignment module#

molsysmt.topology.get_sequence_alignment.get_sequence_alignment(molecular_system, selection='all', reference_molecular_system=None, reference_selection='all', engine='Biopython', syntax='MolSysMT', prettyprint=False, alignment_index=0, skip_digestion=False)[source]#: To be written soon…

molsysmt.topology.get_sequence_identity module#

molsysmt.topology.get_sequence_identity.get_sequence_identity(molecular_system, selection='all', reference_molecular_system=None, reference_selection='all', syntax='MolSysMT', engine='Biopython')[source]#: To be written soon…

Module contents#