We have created a new web-based version of VHELIBS
Validation Helper for LIgands and Binding Sites (VHELIBS) analyses protein-ligand complexes from PDB structures. For every ligand it finds, it evaluates the ligand itself and its surrounding binding site against real-space and refinement quality metrics, then classifies each as Good, Dubious, or Bad based on thresholds you control. Results can be filtered interactively and inspected residue-by-residue in an integrated 3D viewer, together with the experimental electron density around each region.
Where the original VHELIBS was a Java/Jython + Cython desktop application, this version is a pure Python (Flask) backend with a lightweight JavaScript frontend - no compilation step, no desktop dependencies. Install, run, and it opens in your browser.
The new version of VHELIBS is available at https://github.com/URV-cheminformatics/VHELIBS-web/
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