scm_molsg.Input.read_smiles

scm_molsg.Input.read_smiles(arg0: str) → scm_molsg_internal.Mol

Initializes a Mol from a SMILES string

Parameters

smiles (str) – the molecule to be input in SMILES format

Returns

An instance of a molecule

Return type

scm_molsg.Mol

Example

We’ll input benzene as a SMILES string.

import scm_molsg as molsg
mol = molsg.Input.read_smiles("c1ccccc1")