PoseEdit
PoseEdit is a web-based tool for generating and interactively editing two-dimensional diagrams of protein–ligand complexes. It identifies interactions between protein and ligand using an interaction model based on atom types and geometric criteria. The same interaction model is also used by the structure-mining tool GeoMine to describe binding sites.
In addition to automatic diagram generation, PoseEdit allows users to manually refine the visualization by translating, rotating, or mirroring parts of the structure, adding or removing interactions, and creating or adjusting labels. Final diagrams can be exported in JSON or SVG format.
Key benefits
Automatic generation of 2D protein–ligand interaction diagrams
Uses established chemical structure drawing conventions
Produces publication-quality diagrams
Interactive editing of molecular structures and interaction annotations
Consistent interaction model shared with GeoMine
Flexible adjustment of labels, orientation, and layout
Export of editable JSON files and publication-ready SVG graphics
Web-based use without local software installation
Applications
Visualization and refinement of protein–ligand binding modes
Manual correction and annotation of interaction diagrams
Preparation of figures for publications, presentations, and reports
Comparison of ligand poses and interaction patterns
Interpretation of docking results and experimentally determined complexes
Creation of standardized diagrams for structure-based research
Support for structure-based drug discovery and medicinal chemistry
Intended use
PoseEdit is intended for structural biologists, medicinal chemists, computational chemists, and researchers in structure-based drug discovery who need editable and publication-ready visualizations of protein–ligand interactions. It is particularly suited for users who want to combine automated interaction detection with manual control over the final diagram.
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