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1 parent 85b3f1c commit a90cb17Copy full SHA for a90cb17
src/plinder/data/utils/annotations/ligand_utils.py
@@ -738,7 +738,7 @@ class Ligand(DocBaseModel):
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default_factory=set[str],
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description="Ligand covalent linkages as described in https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Categories/struct_conn.html "
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+ "with _struct_conn.conn_type_id == 'covale', reported in format "
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- + "{auth_resid}:{resname}{assym_id}{seq_resid}{atom_name}__{auth_resid}:{resname}{assym_id}{seq_resid}{atom_name}",
+ + "{auth_resid}:{resname}:{assym_id}:{seq_resid}:{atom_name}__{auth_resid}:{resname}:{assym_id}:{seq_resid}:{atom_name}",
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)
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neighboring_residues: dict[str, list[int]] = Field(
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default_factory=dict,
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