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. Author manuscript; available in PMC: 2017 Dec 13.
Published in final edited form as: J Chem Theory Comput. 2016 Nov 10;12(12):6130–6146. doi: 10.1021/acs.jctc.6b00757

Figure 6.

Figure 6

HDBSCAN identified stable (a) vs unstable systems (b), and Amorim–Hennig provided finer resolution on structural changes (c–f). Visual comparison of the Amorim–Hennig clusters of the second of four trajectories (respectively beginning at frame 1, 1001, 6001, and 10 001) confirms that the method uncovered distinct conformations. The fluoridated DNA strand is colored by residue number drawn with VMD’s NewCartoon method.