Hi,
I have been given a molecule in which a substructure was defined by the atom numbers of the original molecule. E.g. substructure made up of atoms no. [0, 1, 2, 3, 4] of the original molecule. Is there any way in CDK to extract this substructure and produce a new molecule from the original molecule? Probably this could be done in a very elegant way, but I haven't found any functionality in CDK that performs this operation. Thanks in advance, Nick
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