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. 2020 Dec 3;60(12):6298–6313. doi: 10.1021/acs.jcim.0c01038

Figure 1.

Figure 1

Example of separation of a 21-membered macrocycle into three atomic categories for the calculation of the RMSDbackbone and RMSDheavy atoms. Side chains, backbone, and heavy atoms are colored green, black, and blue, respectively.