API Molecule#

get_molecule_id(molecular_system[, element, ...])

Getting molecule identifier strings from a molecular system.

get_molecule_index(molecular_system[, ...])

Getting 0-based molecule indices from a molecular system.

get_molecule_name(molecular_system[, ...])

Getting molecule names from a molecular system.

get_molecule_type(molecular_system[, ...])

Getting molecule types from a molecular system.

get_n_molecules(molecular_system[, ...])

Getting the total number of molecules in a molecular system or selection.

is_molecule_type(molecule_type)

Checking if a string represents a valid recognized molecule type in MolSysMT.