HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures

Hydrogen bonds and other non-covalent interactions play a crucial role in maintaining the structural integrity and functionality of biological macromolecules such as proteins and nucleic acids. Accurate identification and analysis of hydrogen bonds and other non-covalent interactions are essential for understanding molecular interactions, protein folding, and drug design. HBAT (Hydrogen Bond Analysis Tool) is a widely used software for analysing hydrogen bonds and other weak interactions in macromolecular structures. In this paper, we present HBAT 2, an updated Python reimplementation of the original HBAT tool.