Hi there,
It would be nice if I had the ability to write (canonical) SMILES strings without any bond order information, as a "round trip" to another format (say, .xyz with gen3D) may cause this information to be lost and I end up with different strings for the same molecule. For example, [NH3][CH2][C](=O)=O is the same molecule as [NH3][CH2]C(=O)O . If there was a way to delete bond order information in the OBMol object, I'd be happy with that too, as it would allow me to write the string I want. Thanks! - Lee-Ping
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