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?
Thank you!
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?
Thank you!