import "autogrow.docking.execute_docking" could not be resolved

Computer-Aided Drug Design at the Durrant Lab Forums AutoGrow4 import "autogrow.docking.execute_docking" could not be resolved

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    • #71191 Reply
      Zeno Apostolides
      Guest

      Hello All,
      Just installed autogrow and mgltools
      working through tutorial up to line 434 python RunAutogrow.py -j /PATH_TO/json_file_with_variable.json
      keep getting this long list of errors

      CONVERTING SDF TO PDB
      CONVERTING SDF TO PDB COMPLETED
      ####################
      Convert Ligand to PDBQT format Begun
      Failed to convert 0 times: /home/zeno/autogrow4/Outputfolder/Run_0/generation_1/PDBs/Gen_1_Mutant_24_19884__1.pdb
      Failed to convert 0 times: /home/zeno/autogrow4/Outputfolder/Run_0/generation_1/PDBs/Gen_1_Cross_828897__1.pdb
      Failed to convert 0 times: /home/zeno/autogrow4/Outputfolder/Run_0/generation_1/PDBs/Gen_1_Mutant_19_514232__1.pdb

      Also note that autogrow_main_execute.py has import errors
      import autogrow.docking.execute_docking as DockingClass
      import autogrow.operators.operations as operations
      import autogrow.docking.concatenate_files as concatenate_files
      All three imports show "could not be resolved" errors.
      Any suggestions will be most welcome.

      Kind regards, Zeno

    • #72075 Reply
      Ra’ed
      Guest

      Same problem here!
      Any solutions would be greatly appreciated.

    • #72073 Reply
      Ra’ed
      Guest

      Same problem here!

    • #72714 Reply
      Jacob Spiegel
      Guest

      Thank you for your interest in AutoGrow4.

      This was an issue regarding MGLTools 1.5.7 which is currently not compatible. Switch to 1.5.6 resolves this issue.

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