Error when running convert_directory_ligands_pdb_to_smi.py

Computer-Aided Drug Design at the Durrant Lab Forums AutoGrow4 Error when running convert_directory_ligands_pdb_to_smi.py

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    • #37252
      Aleks
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      Hi,
      when using the convert_directory_ligands_pdb_to_smi.py script to generate a single smi file with all my ligands, I get the following (typical) error:

      UnboundLocalError: local variable ‘output_folder’ referenced before assignment

      Usually, such problems can be overcome by defining the variable (output_folder) as a global variable; however, I am not sure where to define it in the py.file … I have tried to define it at several positions in the py.file by adding the argument "global output_folder" but unsuccessfully. Could you please tell me, how I can solve this Problem?

      Regards

      Aleks

    • #37568
      Aleks
      Guest

      Sorry, the variable is "output_data" not "output_folder"!

      Regards

      Aleks

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