molsysmt.form.molsysmt_Topology.set#

Functions

set_allows_implicit_hydrogens_to_atom(item)

Setting implicit-hydrogen permission flags on the resolved chemical state.

set_atom_id_to_atom(item[, indices, value, ...])

set_atom_index_to_atom(item[, indices, ...])

set_atom_is_aromatic_to_atom(item[, ...])

Setting atom aromaticity on the resolved chemical state.

set_atom_name_to_atom(item[, indices, ...])

set_atom_stereochemistry_to_atom(item[, ...])

Setting atom stereochemistry on the resolved chemical state.

set_atom_type_to_atom(item[, indices, ...])

set_bond_acceptor_atom_index_to_bond(item[, ...])

set_bond_donor_atom_index_to_bond(item[, ...])

set_bond_evidence_to_bond(item[, indices, ...])

set_bond_id_to_bond(item[, indices, value, ...])

set_bond_is_aromatic_to_bond(item[, ...])

set_bond_is_conjugated_to_bond(item[, ...])

set_bond_joins_components_to_bond(item[, ...])

set_bond_order_to_bond(item[, indices, ...])

set_bond_stereo_atom_indices_to_bond(item[, ...])

set_bond_stereochemistry_to_bond(item[, ...])

set_bond_type_to_bond(item[, indices, ...])

set_chain_id_to_atom(item[, indices, value, ...])

set_chain_id_to_chain(item[, indices, ...])

set_chain_id_to_component(item[, indices, ...])

set_chain_id_to_group(item[, indices, ...])

set_chain_id_to_molecule(item[, indices, ...])

set_chain_index_to_atom(item[, indices, ...])

set_chain_index_to_chain(item[, indices, ...])

set_chain_index_to_component(item[, ...])

Reassign atoms' chain_index using a per-component mapping.

set_chain_index_to_group(item[, indices, ...])

set_chain_index_to_molecule(item[, indices, ...])

Reassign atoms' chain_index using a per-molecule mapping.

set_chain_name_to_atom(item[, indices, ...])

set_chain_name_to_chain(item[, indices, ...])

set_chain_name_to_component(item[, indices, ...])

set_chain_name_to_group(item[, indices, ...])

set_chain_name_to_molecule(item[, indices, ...])

set_chain_type_to_atom(item[, indices, ...])

set_chain_type_to_chain(item[, indices, ...])

set_chain_type_to_component(item[, indices, ...])

set_chain_type_to_group(item[, indices, ...])

set_chain_type_to_molecule(item[, indices, ...])

set_component_id_to_atom(item[, indices, ...])

set_component_id_to_component(item[, ...])

set_component_id_to_group(item[, indices, ...])

set_component_index_to_atom(item[, indices, ...])

set_component_index_to_component(item[, ...])

set_component_index_to_group(item[, ...])

set_component_name_to_atom(item[, indices, ...])

set_component_name_to_component(item[, ...])

set_component_name_to_group(item[, indices, ...])

set_component_type_to_atom(item[, indices, ...])

set_component_type_to_component(item[, ...])

set_component_type_to_group(item[, indices, ...])

set_entity_id_to_atom(item[, indices, ...])

set_entity_id_to_chain(item[, indices, ...])

set_entity_id_to_component(item[, indices, ...])

set_entity_id_to_entity(item[, indices, ...])

set_entity_id_to_group(item[, indices, ...])

set_entity_id_to_molecule(item[, indices, ...])

set_entity_index_to_atom(item[, indices, ...])

set_entity_index_to_chain(item[, indices, ...])

Set entity_index in molecules table using a per-chain mapping.

set_entity_index_to_component(item[, ...])

Set entity_index in molecules table using a per-component mapping.

set_entity_index_to_entity(item[, indices, ...])

set_entity_index_to_group(item[, indices, ...])

set_entity_index_to_molecule(item[, ...])

set_entity_name_to_atom(item[, indices, ...])

set_entity_name_to_chain(item[, indices, ...])

set_entity_name_to_component(item[, ...])

set_entity_name_to_entity(item[, indices, ...])

set_entity_name_to_group(item[, indices, ...])

set_entity_name_to_molecule(item[, indices, ...])

set_entity_type_to_atom(item[, indices, ...])

set_entity_type_to_chain(item[, indices, ...])

set_entity_type_to_component(item[, ...])

set_entity_type_to_entity(item[, indices, ...])

set_entity_type_to_group(item[, indices, ...])

set_entity_type_to_molecule(item[, indices, ...])

set_formal_charge_to_atom(item[, indices, ...])

Setting formal charges on the resolved chemical state.

set_fractional_bond_order_to_bond(item[, ...])

set_group_id_to_atom(item[, indices, value, ...])

set_group_id_to_group(item[, indices, ...])

set_group_index_to_atom(item[, indices, ...])

set_group_index_to_group(item[, indices, ...])

set_group_name_to_atom(item[, indices, ...])

set_group_name_to_group(item[, indices, ...])

set_group_type_to_atom(item[, indices, ...])

set_group_type_to_group(item[, indices, ...])

set_isotope_to_atom(item[, indices, value, ...])

set_molecule_id_to_atom(item[, indices, ...])

set_molecule_id_to_chain(item[, indices, ...])

set_molecule_id_to_component(item[, ...])

set_molecule_id_to_group(item[, indices, ...])

set_molecule_id_to_molecule(item[, indices, ...])

set_molecule_index_to_atom(item[, indices, ...])

set_molecule_index_to_chain(item[, indices, ...])

Reassign groups' molecule_index using a per-chain mapping.

set_molecule_index_to_component(item[, ...])

Reassign groups' molecule_index using a per-component mapping.

set_molecule_index_to_group(item[, indices, ...])

set_molecule_index_to_molecule(item[, ...])

set_molecule_name_to_atom(item[, indices, ...])

set_molecule_name_to_chain(item[, indices, ...])

set_molecule_name_to_component(item[, ...])

set_molecule_name_to_group(item[, indices, ...])

set_molecule_name_to_molecule(item[, ...])

set_molecule_type_to_atom(item[, indices, ...])

set_molecule_type_to_chain(item[, indices, ...])

set_molecule_type_to_component(item[, ...])

set_molecule_type_to_group(item[, indices, ...])

set_molecule_type_to_molecule(item[, ...])

set_n_implicit_hydrogens_to_atom(item[, ...])

Setting implicit-hydrogen counts on the resolved chemical state.

set_n_unpaired_electrons_to_atom(item[, ...])

Setting unpaired-electron counts on the resolved chemical state.