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The implementation uses direct equivalence of atoms, which may fail if the stk.Atom in the molecule is not the same as the atom in the bond. Not exactly sure why this occurs for some stk molecules, but seems to be an issue wit host guest systems.
The text was updated successfully, but these errors were encountered:
The implementation uses direct equivalence of atoms, which may fail if the
stk.Atom
in the molecule is not the same as the atom in the bond. Not exactly sure why this occurs for some stk molecules, but seems to be an issue wit host guest systems.The text was updated successfully, but these errors were encountered: