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Update README.md
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Magnushhoie committed Jun 6, 2024
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Expand Up @@ -199,7 +199,7 @@ python discotope3/main.py \
--out_dir output/test_set_af2
```
# Common issues
# Troubleshooting
- **No valid amino-acid backbone found"** - DiscoTope-3.0 only predicts epitopes on amino-acids, not on non-amino acid entities like heteroatoms (e.g. water, solvents like dimethyl sulfoxide). These chains should not be specified as input.
- **PDBConstructionWarning regarding discontinuous chains** - Common issue with some PDB files (experimental structures only) missing co-ordinates for some atoms. As long as no backbone co-ordinates (C, Ca, N) are missing, it does not impact predictions.
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