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Typo fix
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wukevin committed Dec 3, 2024
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Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion examples/glycosylation/README.md
Original file line number Diff line number Diff line change
Expand Up @@ -26,7 +26,7 @@ chainA|res_idxA|chainB|res_idxB|connection_type|confidence|min_distance_angstrom
|---|---|---|---|---|---|---|---|---|---|
A|N436@N|B|@C4|covalent|1.0|0.0|0.0|protein-glycan|bond1

Breaking this down, this specifies that the within chain A (the first entry in the fasta), the "N" residue at the 436-th position (1-indexed) as indicated by the "N436" prefix is bound, via its nitrogen "N" atom as indicated by the "@N" suffix, to the C4 atom in the first glycan ("@C4"). Ring numbering follows standard glycan ring number schemas. For other ligands, you will need check how the specific version of `gemmi` that we use in `chai-lab` (run `uv pip list | grep gemmi` for version) assigns atom names and use the same atom names to specify your bonds.
Breaking this down, this specifies that the within chain A (the first entry in the fasta), the "N" residue at the 436-th position (1-indexed) as indicated by the "N436" prefix is bound, via its nitrogen "N" atom as indicated by the "@N" suffix, to the C4 atom in the first glycan ("@C4"). Ring numbering follows standard glycan ring number schemas. For other ligands, you will need check how the specific version of `rdkit` that we use in `chai-lab` (run `uv pip list | grep rdkit` for version) assigns atom names and use the same atom names to specify your bonds.


### Multi-ring glycan
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