molsysmt.form.molsysmt_Topology package#

Submodules#

molsysmt.form.molsysmt_Topology.add module#

molsysmt.form.molsysmt_Topology.add.add(to_item, item, keep_ids=True, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.add_bonds module#

molsysmt.form.molsysmt_Topology.add_bonds.add_bonds(item, bonded_atom_pairs, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.append_structures module#

molsysmt.form.molsysmt_Topology.append_structures.append_structures(item, structure_id=None, time=None, coordinates=None, box=None, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.attributes module#

molsysmt.form.molsysmt_Topology.copy module#

molsysmt.form.molsysmt_Topology.copy.copy(item, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.extract module#

molsysmt.form.molsysmt_Topology.extract.extract(item, atom_indices='all', structure_indices='all', copy_if_all=True, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.get_topological_attributes module#

molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_id_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_id_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_id_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_id_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_id_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_id_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_name_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_name_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_name_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_name_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_name_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_name_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_type_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_type_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_type_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_type_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_type_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_atom_type_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_bond(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_index_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_order_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_order_from_bond(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_order_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_order_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_order_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_order_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_order_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_type_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_type_from_bond(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_type_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_type_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_type_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_type_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bond_type_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_bond(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atom_pairs_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_bond(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_bonded_atoms_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_id_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_id_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_id_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_id_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_id_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_id_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_name_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_name_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_name_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_name_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_name_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_name_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_type_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_type_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_type_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_type_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_type_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_chain_type_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_id_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_id_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_id_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_id_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_id_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_id_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_name_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_name_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_name_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_name_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_name_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_name_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_type_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_type_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_type_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_type_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_type_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_component_type_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_id_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_id_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_id_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_id_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_id_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_id_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_name_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_name_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_name_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_name_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_name_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_name_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_type_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_type_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_type_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_type_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_type_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_entity_type_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_id_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_id_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_id_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_id_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_id_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_id_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_name_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_name_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_name_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_name_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_name_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_name_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_type_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_type_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_type_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_type_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_type_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_group_type_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bond_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bond_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bond_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bond_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bond_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bond_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atom_pairs_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atom_pairs_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atom_pairs_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atom_pairs_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atom_pairs_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atom_pairs_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atom_pairs_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atoms_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atoms_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atoms_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atoms_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atoms_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atoms_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_inner_bonded_atoms_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_id_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_id_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_id_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_id_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_id_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_id_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_index_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_index_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_index_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_index_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_index_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_index_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_name_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_name_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_name_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_name_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_name_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_name_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_type_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_type_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_type_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_type_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_type_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_molecule_type_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_amino_acids_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_amino_acids_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_amino_acids_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_amino_acids_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_amino_acids_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_amino_acids_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_amino_acids_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_atoms_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_atoms_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_atoms_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_atoms_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_atoms_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_atoms_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_atoms_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_bond(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_bonds_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_chains_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_chains_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_chains_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_chains_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_chains_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_chains_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_chains_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_components_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_components_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_components_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_components_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_components_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_components_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_components_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_dnas_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_dnas_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_dnas_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_dnas_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_dnas_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_dnas_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_dnas_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_entities_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_entities_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_entities_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_entities_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_entities_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_entities_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_entities_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_groups_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_groups_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_groups_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_groups_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_groups_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_groups_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_groups_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_inner_bonds_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_inner_bonds_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_inner_bonds_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_inner_bonds_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_inner_bonds_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_inner_bonds_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_ions_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_ions_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_ions_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_ions_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_ions_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_ions_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_ions_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_lipids_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_lipids_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_lipids_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_lipids_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_lipids_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_lipids_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_lipids_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_molecules_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_molecules_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_molecules_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_molecules_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_molecules_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_molecules_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_molecules_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_nucleotides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_nucleotides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_nucleotides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_nucleotides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_nucleotides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_nucleotides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_nucleotides_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_peptides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_peptides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_peptides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_peptides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_peptides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_peptides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_peptides_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_polysaccharides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_polysaccharides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_polysaccharides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_polysaccharides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_polysaccharides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_polysaccharides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_polysaccharides_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_proteins_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_proteins_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_proteins_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_proteins_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_proteins_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_proteins_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_proteins_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_rnas_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_rnas_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_rnas_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_rnas_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_rnas_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_rnas_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_rnas_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_saccharides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_saccharides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_saccharides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_saccharides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_saccharides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_saccharides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_saccharides_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_small_molecules_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_small_molecules_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_small_molecules_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_small_molecules_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_small_molecules_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_small_molecules_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_small_molecules_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_waters_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_waters_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_waters_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_waters_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_waters_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_waters_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_n_waters_from_system(item, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_amino_acids_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_amino_acids_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_amino_acids_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_amino_acids_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_amino_acids_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_amino_acids_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_atoms_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_atoms_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_atoms_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_atoms_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_atoms_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_atoms_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_bonds_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_bonds_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_bonds_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_bonds_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_bonds_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_bonds_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_chains_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_chains_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_chains_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_chains_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_chains_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_chains_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_components_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_components_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_components_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_components_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_components_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_components_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_dnas_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_dnas_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_dnas_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_dnas_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_dnas_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_dnas_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_entities_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_entities_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_entities_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_entities_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_entities_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_entities_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_groups_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_groups_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_groups_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_groups_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_groups_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_groups_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_inner_bonds_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_inner_bonds_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_inner_bonds_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_inner_bonds_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_inner_bonds_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_inner_bonds_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_ions_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_ions_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_ions_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_ions_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_ions_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_ions_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_lipids_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_lipids_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_lipids_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_lipids_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_lipids_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_lipids_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_molecules_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_molecules_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_molecules_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_molecules_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_molecules_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_molecules_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_nucleotides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_nucleotides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_nucleotides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_nucleotides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_nucleotides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_nucleotides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_peptides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_peptides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_peptides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_peptides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_peptides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_peptides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_polysaccharides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_polysaccharides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_polysaccharides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_polysaccharides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_polysaccharides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_polysaccharides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_proteins_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_proteins_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_proteins_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_proteins_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_proteins_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_proteins_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_rnas_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_rnas_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_rnas_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_rnas_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_rnas_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_rnas_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_saccharides_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_saccharides_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_saccharides_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_saccharides_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_saccharides_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_saccharides_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_small_molecules_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_small_molecules_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_small_molecules_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_small_molecules_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_small_molecules_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_small_molecules_from_molecule(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_waters_from_atom(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_waters_from_chain(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_waters_from_component(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_waters_from_entity(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_waters_from_group(item, indices='all', skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.get_topological_attributes.get_total_n_waters_from_molecule(item, indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.has_attribute module#

molsysmt.form.molsysmt_Topology.has_attribute.has_attribute(molecular_system, attribute, include_none=False, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.is_form module#

molsysmt.form.molsysmt_Topology.is_form.is_form(item)[source]#

molsysmt.form.molsysmt_Topology.iterators module#

class molsysmt.form.molsysmt_Topology.iterators.TopologyIterator(molecular_system, element='atom', indices='all', start=0, stop=None, step=1, chunk=1, output_type='values', skip_digestion=False, **kwargs)[source]#

Bases: object

molsysmt.form.molsysmt_Topology.merge module#

molsysmt.form.molsysmt_Topology.merge.merge(items, atom_indices='all', keep_ids=True, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.remove_bonds module#

molsysmt.form.molsysmt_Topology.remove_bonds.remove_bonds(item, bond_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.set module#

molsysmt.form.molsysmt_Topology.set.set_atom_id_to_atom(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_atom_name_to_atom(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_atom_type_to_atom(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_chain_id_to_chain(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_chain_index_to_atom(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_chain_name_to_chain(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_chain_type_to_chain(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_component_id_to_component(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_component_index_to_atom(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_component_name_to_component(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_component_type_to_component(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_entity_id_to_entity(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_entity_name_to_entity(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_entity_type_to_entity(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_group_id_to_group(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_group_index_to_atom(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_group_name_to_group(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_group_type_to_group(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_molecule_id_to_molecule(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_molecule_name_to_molecule(item, indices='all', value=None, skip_digestion=False)[source]#
molsysmt.form.molsysmt_Topology.set.set_molecule_type_to_molecule(item, indices='all', value=None, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_file_h5msm module#

molsysmt.form.molsysmt_Topology.to_file_h5msm.dump_topology_to_h5msm(item, file, atom_indices='all')[source]#
molsysmt.form.molsysmt_Topology.to_file_h5msm.to_file_h5msm(item, atom_indices='all', coordinates=None, output_filename=None, compression='gzip', compression_opts=4, int_precision='single', float_precision='single', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_file_pdb module#

molsysmt.form.molsysmt_Topology.to_file_pdb.to_file_pdb(item, coordinates, box, atom_indices='all', output_filename=None, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_file_psf module#

molsysmt.form.molsysmt_Topology.to_file_psf.to_file_psf(item, atom_indices='all', output_filename=None, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_mdtraj_Topology module#

molsysmt.form.molsysmt_Topology.to_mdtraj_Topology.to_mdtraj_Topology(item, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_molsysmt_Topology module#

molsysmt.form.molsysmt_Topology.to_molsysmt_Topology.to_molsysmt_Topology(item, atom_indices='all', structure_indices='all', copy_if_all=True, skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_networkx_Graph module#

molsysmt.form.molsysmt_Topology.to_networkx_Graph.to_networkx_Graph(item, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_nglview_NGLWidget module#

molsysmt.form.molsysmt_Topology.to_nglview_NGLWidget.to_nglview_NGLWidget(item, coordinates, box, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_openmm_Topology module#

molsysmt.form.molsysmt_Topology.to_openmm_Topology.to_openmm_Topology(item, box=None, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_parmed_Structure module#

molsysmt.form.molsysmt_Topology.to_parmed_Structure.to_parmed_Structure(item, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_pytraj_Topology module#

molsysmt.form.molsysmt_Topology.to_pytraj_Topology.to_pytraj_Topology(item, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_string_amino_acids_1 module#

molsysmt.form.molsysmt_Topology.to_string_amino_acids_1.to_string_amino_acids_1(item, group_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_string_amino_acids_3 module#

molsysmt.form.molsysmt_Topology.to_string_amino_acids_3.to_string_amino_acids_3(item, group_indices='all', skip_digestion=False)[source]#

molsysmt.form.molsysmt_Topology.to_string_pdb_text module#

molsysmt.form.molsysmt_Topology.to_string_pdb_text.to_string_pdb_text(item, atom_indices='all', coordinates=None, box=None, skip_digestion=False)[source]#

Module contents#