diff --git a/wwpdb/utils/nmr/mr/CnsMRReader.py b/wwpdb/utils/nmr/mr/CnsMRReader.py index d79a6a8bc..727f4fc40 100644 --- a/wwpdb/utils/nmr/mr/CnsMRReader.py +++ b/wwpdb/utils/nmr/mr/CnsMRReader.py @@ -208,6 +208,11 @@ def parse(self, mrFilePath, cifFilePath=None, isFilePath=True, if __name__ == "__main__": + reader = CnsMRReader(True) + reader.setDebugMode(True) + reader.parse('../../tests-nmr/mock-data-remediation/7yhh/all.tbl', + '../../tests-nmr/mock-data-remediation/7yhh/7yhh.cif') + reader = CnsMRReader(True) reader.setDebugMode(True) reader_listener, _, _ =\ diff --git a/wwpdb/utils/nmr/mr/ParserListenerUtil.py b/wwpdb/utils/nmr/mr/ParserListenerUtil.py index a89829da6..a37854f06 100644 --- a/wwpdb/utils/nmr/mr/ParserListenerUtil.py +++ b/wwpdb/utils/nmr/mr/ParserListenerUtil.py @@ -2980,7 +2980,7 @@ def coordAssemblyChecker(verbose=True, log=sys.stdout, 'branched': [{'name': 'asym_id', 'type': 'str', 'alt_name': 'chain_id'}, {'name': 'pdb_seq_num', 'type': 'int', 'alt_name': 'seq_id'}, {'name': 'mon_id', 'type': 'str', 'alt_name': 'comp_id'}, - {'name': 'auth_asym_id', 'type': 'str', 'alt_name': 'auth_chain_id'}, + {'name': 'pdb_asym_id', 'type': 'str', 'alt_name': 'auth_chain_id'}, {'name': 'auth_seq_num', 'type': 'int', 'alt_name': 'auth_seq_id'}, {'name': branchedPdbMonIdName, 'type': 'str', 'alt_name': 'auth_comp_id', 'default-from': 'mon_id'} ], @@ -4047,7 +4047,7 @@ def to_np_array(a): has_ins_code = cR.hasItem('pdbx_branch_scheme', 'pdb_ins_code') dataItems = [{'name': 'asym_id', 'type': 'str', 'alt_name': 'label_asym_id'}, - {'name': 'auth_asym_id', 'type': 'str'}, + {'name': 'pdb_asym_id', 'type': 'str', 'alt_name': 'auth_asym_id'}, {'name': 'auth_seq_num', 'type': 'int', 'alt_name': 'alt_seq_id'}, {'name': 'pdb_seq_num', 'type': 'int', 'alt_name': 'auth_seq_id'}, {'name': 'num', 'type': 'int', 'alt_name': 'seq_id'},