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Unverified Commit f37d0d96 authored by Jennifer Wei's avatar Jennifer Wei Committed by GitHub
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Merge pull request #464 from ljarosch/main 

Fix 3-to-1 letter conversion to use extended mapping
parents f6c875b3 d3c89fc9
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openfold/data/mmcif_parsing.py
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...@@ -283,7 +283,7 @@ def parse( ...@@ -283,7 +283,7 @@ def parse(
author_chain = mmcif_to_author_chain_id[chain_id] author_chain = mmcif_to_author_chain_id[chain_id]
seq = [] seq = []
for monomer in seq_info: 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.append(code if len(code) == 1 else "X")
seq = "".join(seq) seq = "".join(seq)
author_chain_to_sequence[author_chain] = seq author_chain_to_sequence[author_chain] = seq
......
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