SiMolecule / centres

Perception and labelling of stereogenic centres in chemical structures
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Allenes of length >3 atoms #5

Closed iclkevin closed 1 year ago

iclkevin commented 1 year ago

On the topic of allenes, currently CENTRES only supports even-numbered extended tetrahedral systems of length 2. This prevents the full validation suite from validating (VS141 and VS166). How difficult would it be to extend this support?