Error when running convert_directory_ligands_pdb_to_smi.py

[Aleks]

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

[Aleks]

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

Regards

Aleks

[Author]

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