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

  • This topic is empty.
Viewing 1 reply thread
  • Author
    Posts
    • #37252 Reply
      Aleks
      Guest

      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 Reply
      Aleks
      Guest

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

      Regards

      Aleks

Viewing 1 reply thread
Reply To: Error when running convert_directory_ligands_pdb_to_smi.py
Your information:





<a href="" title="" rel="" target=""> <blockquote cite=""> <code> <pre class=""> <em> <strong> <del datetime="" cite=""> <ins datetime="" cite=""> <ul> <ol start=""> <li> <img src="" border="" alt="" height="" width="">