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Extra oxygen atom in glycan prediction. #673

@wyku

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@wyku
sequences:
    - protein:
        id: A
        sequence: SPDPNWELLSSLGEYKDINLESSNASNITYDLEKYKNLDEGTIVVRFNSKDSKIQSLLGISNSKTKNGYFNFYVTNSRVGFELRNQKNEGNTQNGTENLVHMYKDVALNDGDNTVALKIEKNKGYKLFLNGKMIKEVKDTNTKFLNNIENLDSAFIGKTNRYGQSNEYNFKGNIGFMNIYNEPLGDDYLLSKTGETK
        msa: msaA.a3m
    - ligand:
        id: B
        ccd: ["GAL", "SIA"]
constraints:
    - bond:
        atom1: [B, 1, O6]
        atom2: [B, 2, C2]

When I run boltz2 to predict glycan-protein complex structure, the final structure have an extra O2 atom. Is there any solution to avoid this?

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Thank you!

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