diff --git a/wwpdb/utils/nmr/NmrDpUtility.py b/wwpdb/utils/nmr/NmrDpUtility.py index 029719ab..8c847b1b 100644 --- a/wwpdb/utils/nmr/NmrDpUtility.py +++ b/wwpdb/utils/nmr/NmrDpUtility.py @@ -8111,7 +8111,6 @@ def __validateInputSource(self, srcPath: str = None) -> bool: csPath = _csPath if self.__op == 'nmr-cs-mr-merge' and not os.path.basename(csPath).startswith('bmr'): - _csPath = csPath + '.cif2str' if not self.__c2S.convert(csPath, _csPath): @@ -8657,6 +8656,11 @@ def __fixFormatIssueOfInputSource(self, file_list_id: int, file_name: str, file_ _srcPath = ofh.name tmpPaths.append(_srcPath) + # fix single loop file without datablock (D_1300055931) + if self.__c2S.convert(_srcPath, _srcPath + '~'): + _srcPath = _srcPath + '~' + tmpPaths.append(_srcPath) + msg_template = "Only 'save_NAME' is valid in the body of a NMR-STAR file. Found 'loop_'." if any(msg for msg in message['error'] if msg_template in msg):