Fix unhandled exceptions in MSA parsing and PDB serialization#1124
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mauritaniacoder99 wants to merge 1 commit into
Open
Fix unhandled exceptions in MSA parsing and PDB serialization#1124mauritaniacoder99 wants to merge 1 commit into
mauritaniacoder99 wants to merge 1 commit into
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Hi team, just a gentle ping on this PR. The CLA is signed, all checks have passed, and there are no merge conflicts. Please let me know if you need any adjustments to the patch or if there's anything else I can provide. Thanks! |
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Description
This PR addresses two edge-case logic flaws that can cause the pipeline to crash completely due to unhandled exceptions during data processing.
alphafold/data/parsers.py, if a provided MSA contains a truncated sequence hit that is shorter than the query's active columns, the list comprehension throws an unhandledIndexError. Added a length boundary check to raise a descriptiveValueError.alphafold/common/protein.py, if an excessively large sequence is processed, the Python formatter{:>5}dynamically expands to 6 characters. This breaks the strict fixed-width PDB format, causing OpenMM to fail withValueError. Added a modulo truncation (% 100000) to strictly enforce PDB column boundaries.These fixes improve the robustness of the pipeline when processing large or manually crafted datasets.