Hello everyone,
I see that GetBondDistance() is a useful tool for calculating the distances between atoms, whether bonded or nonbonded. However, I am unsure on how to implement this function to calculate distances between atoms in different molecule, as the functions requires a conformer as an argument. Would I need to generate a conformer containing both molecules in order to use this function for calculating the intermolecular atom distances? Illimar Rekand Ph.D. candidate, Brenk-lab, Haug-lab Department of Biomedicine Department of Chemistry University of Bergen _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
