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Figure 1
Different treatments of hydrogen bonds involving groups outside the residue of interest. Standard approach, neglecting hydrogen bonds (left); automatic capping approach (centre), showing a backbone carbonyl hydrogen-bond acceptor modelled by H2CO; minimal approach (right), with the backbone carbonyl modelled by OH−

IUCrJ
Volume 13| Part 1| January 2026| Pages 53-62
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525010188