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. 2020 Jan 13;48(4):1748–1763. doi: 10.1093/nar/gkz1227

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© The Author(s) 2020. Published by Oxford University Press on behalf of Nucleic Acids Research.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 1. — Schematic of stretching protocol. Step 0: A terminal base pair of a fragment is rotated with a 2D rotation matrix such that in step 1 an initial structure is obtained. Step 2: a terminal base pair (highlighted red) is displaced from its starting position by 1 Å. Step 3; the structure is minimized with harmonic constraints at both ends (grey crosses). Step 4: the system is subjected to a production run of 0.5 ns and the final frame is used as the input for the next round of stretching, minimizing and modelling.