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Goodman-lab / DP5

Python workflow for DP5 and DP4 analysis of organic molecules
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AttributeError: 'str' object has no attribute 'extend' #72

Open vas2201 opened 1 year ago

vas2201 commented 1 year ago

@scandium:/projects/LigandNMR/test1$ python3 ../DP5-master/PyDP4_GUI.py /projects/LigandNMR/test1/../DP5-master/PyDP4_GUI.py:8: MatplotlibDeprecationWarning: The matplotlib.backends.backend_qt4agg backend was deprecated in Matplotlib 3.3 and will be removed two minor releases later. from matplotlib.backends.backend_qt4agg import FigureCanvasQTAgg as FigureCanvas QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout QLayout: Attempting to add QLayout "" to CalculationTab "", which already has a layout Traceback (most recent call last): File "/home/nmrbox/spenumutchu/projects/LigandNMR/test1/../DP5-master/PyDP4_GUI.py", line 2600, in runPyDP4 self.NMRData, self.Isomers, self.settings, self.DP4Data,self.DP5Data = PyDP4.main(ui.table_widget.Tab1.settings) File "/home/nmrbox/spenumutchu/projects/LigandNMR/DP5-master/PyDP4.py", line 203, in main settings.InputFiles.extend(StructureInput.GenerateSDFFromTxt(settings.Smiles, 'Smiles')) AttributeError: 'str' object has no attribute 'extend' Aborted (core dumped) (DP5) @scandium:/projects/LigandNMR/test1$

vas2201 commented 1 year ago

If possible, could you please mention what is sofware /lib versions of python, matplotlib and others that are compatibale to run PD5 ?