Hello,

I have two sets of conforms (ca. 2000 each) of a molecule. I’d like to find the 
relative complement of set A in set B (i.e., unique conformers in set B that 
are not in set A).

I’m thinking of calculating the distance matrix of each conformer, then looping 
through all conformers to find the relative complement. However, this doesn’t 
seem like an elegant solution.

If you have any ideas, I’d be very grateful.

Regards,

Othman
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