Visualize Protein-Ligand Interactions Automatically with PoseView

PoseView is a specialized computational tool that automatically generates high-quality, two-dimensional (2D) diagrams of macromolecule-ligand complexes from 3D structural data. Developed by the Center for Bioinformatics at the University of Hamburg, it translates complex 3D structures (such as protein-ligand or RNA/DNA-ligand arrangements) into a clear, textbook-like 2D format to help scientists intuitively view binding modes and molecular interactions. Core Functionality & Interaction Modeling

Automated Layouts: It creates standardized, publication-ready diagrams using a fast tree re-arrangement algorithm that minimizes crossing lines.

Chemical Conventions: The software uses the 2Ddraw engine to sketch small molecule configurations according to standard IUPAC regulations.

Interaction Estimation: Molecular bonds are calculated using built-in geometric rules or the FlexX interaction model, relying on atom types and spatial criteria. Visual Coding in Diagrams

Hydrogen & Metal Bonds: Illustrated explicitly as dashed lines connecting the interaction partners.

Hydrophobic Contacts: Represented indirectly through smooth spline segments or contour lines highlighting the hydrophobic regions of the ligand, paired with green residue labels.

Pi-Stacking: Represented visually via customized annotations (such as parallel green lines/dots) to indicate aromatic ring interactions.

Receptor Residues: Depicts the specific amino acid residues involved in the active site pocket as clean molecular frameworks. Usage & Access Options PoseView : ZBH : University of Hamburg