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As mentioned in PR #100 I have been experimenting with an output mode that produces a self-contained HTML diagnostic report. This is especially useful for understanding failures in less obvious or edge-case structures.
It builds on the structured diagnostics from this PR and adds summary tables and visualisations of the implicated atoms and distances.
Here is the same example from OpenBind I shared before, but in the HTML output format:
The label placement is heuristic and is not always perfect for crowded structures, but I have found the report very useful for quickly understanding failures. It doesn't support detailed diagnosis for all features, but it does for a lot of the most common ones (distance to protein, steric clash, ring flatness, ...)