The choice of which atom to use in the identification of molecular contacts is specific to the molecule of interest and one can select as many atoms as necessary to accurately describe the self-assembly of the molecules. The SCP algorithm calculates the distances between all the selected atoms of the chosen molecules. If any of these distances is below the cutoff it will then add them to the same subgraph. It is important to note that choosing a large number of atoms will slow down this calculation. Figure shows how different atom selection choices affect the output of the SCP clustering for an ABA triblock copolymer. Figure (a) shows the system, two micelles formed by ABA triblock polymers (the A block is hydrophilic; the B block is hydrophobic). Since the hydrophobic block tightly interacts with those of other polymers in the micelle, picking atoms within this domain is a reasonable selection. On the other hand, Figure (c) shows the clustering performed for the same system but picking atoms at the end of the hydrophilic blocks. The hydrophilic atoms at the end of the polymer chains are not suitable choices for clustering and as such, the clusters obtained do not reflect the formation of two micelles.