Software to rigorously define intermolecular H-bonds by donor/acceptor chemistry and geometric constraints, which was developed, used, and described in detail in

• Raschka, Sebastian, Alex Wolf, Joseph Bemister‐Buffington, and Leslie A. Kuhn (2018) “Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes” Journal of Computer-Aided Molecular Design. Journal of Computer-Aided Molecular Design (accepted manuscript) [biorxiv preprint]

Links

• Journal paper: https://www.biorxiv.org/content/early/2018/02/05/260612
• Code repository: https://github.com/psa-lab/Hbind
• Documentation: https://psa-lab.github.io/Hbind

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[Interactions between an PKCI-substrate analog (1KPF) with its ligand (adenosine monophsophate) via HbindViz and PyMOL; hydrogen atoms not shown]