There are two functions available to convert the molecule from
aromatic form to Kekule form:
dearomatize() and aromatize(false) located in
MoleculeGraph class.
The former method is suggested for general use as it reports false if the
conversion was not successful.
Code example:
boolean success = molecule.dearomatize();
More information about dearomatization can be found here.
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Differences between the basic and general methods |