Although stk does respect IsoSMILES stereochemistry, it would be nice to validate the chirality of constructed molecules as a sanity check. It should be pretty straightforward via RDKit substructure matching with flag useChirality-True e.g. len(constructed_macrocycle.GetSubstructMatches(dextrose, useChirality=True)), but since dextrose is not entirely present in cyclodextrin, you'll have to use some common sub-structure instead.
Although stk does respect IsoSMILES stereochemistry, it would be nice to validate the chirality of constructed molecules as a sanity check. It should be pretty straightforward via RDKit substructure matching with flag
useChirality-Truee.g.len(constructed_macrocycle.GetSubstructMatches(dextrose, useChirality=True)), but since dextrose is not entirely present in cyclodextrin, you'll have to use some common sub-structure instead.