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feat(intxn): search for disulfides #5

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merged 3 commits into from
May 4, 2024
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@y1zhou y1zhou commented May 4, 2024

  • Search for disulfides in the interface
  • Ignore certain atom pairs during search to skip duplicates and unnecessary pairs (e.g. clash with itself, contact with convalently bonded neighbor)

@y1zhou y1zhou merged commit 340e0f5 into master May 4, 2024
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@y1zhou y1zhou deleted the interaction/covalent branch May 4, 2024 15:30
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