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Fix rotamer shuffle when repairing PDB structures pre-repack. #206

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mtessmer wants to merge 2 commits into
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fix/mutate-fill-missing-atoms
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Fix rotamer shuffle when repairing PDB structures pre-repack. #206
mtessmer wants to merge 2 commits into
mainfrom
fix/mutate-fill-missing-atoms

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mtessmer added 2 commits May 18, 2026 18:52
…hen missing atoms. Fix loss of protonation state when mutating. Add tests and test data.
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