Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Failed to convert #5

Open
pvaras8 opened this issue Jun 29, 2023 · 2 comments
Open

Failed to convert #5

pvaras8 opened this issue Jun 29, 2023 · 2 comments

Comments

@pvaras8
Copy link

pvaras8 commented Jun 29, 2023

Following the tutorial, when I execute this line of code: smiles_list = docking(smiles_folder = results_folder, smiles_file = smiles_file, args_dict = vars) the following error appears:setting PYTHONHOME environment
Failed to convert 0 times: ./results_4r6e_000_PDB/5978009__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/5155218__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/2065594__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7918451__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/4485828__2.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/9066744__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/9592795__2.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/3884053__2.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7918451__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/5867488__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/8905482__2.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/4025756__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/2719455__3.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/1200527__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7292583__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7595926__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/8424926__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/8095622__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7872732__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/4691782__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/2073335__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/9980521__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/3098257__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/6056760__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/4024833__2.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/4024833__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/1653654__3.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/8181518__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/8625472__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/2442229__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/6354861__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/5809515__5.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7851679__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7107562__4.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/9490483__1.pdb
Failed to convert 0 times: ./results_4r6e_000_PDB/7107562__3.pdb

Can you help me with this?

@MorganCThomas
Copy link

I got this error and fixed it by using downloading mgltools 1.5.6 instead of the latest version 1.5.7 which for some reason didn't seem to have the Utilities scripts Autogrow needs.

@pvaras8
Copy link
Author

pvaras8 commented Oct 2, 2023

Thank you very much!! I solved the error thanks to your message

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants