Some file formats such as SMILES do not support 2D (or 3D) coordinates for the atoms. Other formats such as SD or MOL have support for coordinates but may not include them. This method will generate reasonable 2D coordinates based purely on connectivity information, overwriting any existing coordinates if present.
The molecule to query. Should be a 'jobjRef' representing an 'IAtomContainer'
Note that when depicting a molecule (
view.molecule.2d), 2D coordinates
are generated, but since it does not modify the input molecule, we do not have access
to the generated coordinates.
The input molecule, with 2D coordinates added
Rajarshi Guha (email@example.com)
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