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DAOTHER-8751, 8817: Fix the previsou commit (D_130004306)
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yokochi47 committed Jan 26, 2024
1 parent e746297 commit fae5152
Showing 1 changed file with 8 additions and 9 deletions.
17 changes: 8 additions & 9 deletions wwpdb/utils/nmr/mr/ParserListenerUtil.py
Original file line number Diff line number Diff line change
Expand Up @@ -3625,15 +3625,14 @@ def to_np_array(a):
authAtomNameToIdExt[_compId][c['alt_atom_id']] = c['atom_id']

# DAOTHER-8751, 8817 (D_130004306)
elif len(atomIds) != len(authAtomNameToId[compId]):
if altAuthAtomId is not None:
for c in coord:
if c['chain_id'] == chainId and c['seq_id'] is not None and c['seq_id'] == seqId:
_compId = c['comp_id']
if _compId not in authAtomNameToIdExt:
authAtomNameToIdExt[_compId] = {}
if c['alt_atom_id'] not in authAtomNameToIdExt[_compId]:
authAtomNameToIdExt[_compId][c['alt_atom_id']] = c['atom_id']
elif altAuthAtomId is not None and compId in authAtomNameToId and len(atomIds) != len(authAtomNameToId[compId]):
for c in coord:
if c['chain_id'] == chainId and c['seq_id'] is not None and c['seq_id'] == seqId:
_compId = c['comp_id']
if _compId not in authAtomNameToIdExt:
authAtomNameToIdExt[_compId] = {}
if c['alt_atom_id'] not in authAtomNameToIdExt[_compId]:
authAtomNameToIdExt[_compId][c['alt_atom_id']] = c['atom_id']

authToLabelSeq = {v: k for k, v in labelToAuthSeq.items()}

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