Merge pull request #464 from ljarosch/main

Fix 3-to-1 letter conversion to use extended mapping

Merge pull request #464 from ljarosch/main
Fix 3-to-1 letter conversion to use extended mapping
f37d0d96 · Jennifer Wei · GitHub · f6c875b3 · d3c89fc9 · f37d0d96
Unverified Commit f37d0d96 authored Jul 08, 2024 by Jennifer Wei Committed by GitHub Jul 08, 2024
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openfold/data/mmcif_parsing.py openfold/data/mmcif_parsing.py +1 -1

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--- a/openfold/data/mmcif_parsing.py
+++ b/openfold/data/mmcif_parsing.py
@@ -283,7 +283,7 @@ def parse(
            author_chain = mmcif_to_author_chain_id[chain_id]
            seq = []
            for monomer in seq_info:
-                code = PDBData.protein_letters_3to1.get(monomer.id, "X")
+                code = PDBData.protein_letters_3to1_extended.get(monomer.id, "X")
                seq.append(code if len(code) == 1 else "X")
            seq = "".join(seq)
            author_chain_to_sequence[author_chain] = seq