Dear scientists, I need help with molecular docking with Autodock.
- When I upload the Protein or Ligand structure, the command "swig/python detected a memory leak of type 'BHtree *', no destructor found" appears on the screen (Picture 1).
- Then, I can't Run AutoGrid or AutoDock. When I press the Launch command (with files created), it only results in a window like this and sometimes nothing happens and The error log says "Sorry, I can't find or open Grid Parameter File "C:/Users/..." . I have everything in one folder already so it should find the files (Picture 2).
Can anyone tell me what have I done wrong and how to correct it? I tried a few times and it is still the same.
I look forward to receiving help from you.
Thanks very much.
The version of Python you are using has a memory leak and is therefore not compatible with the Autodock4.py script. Somehow the version of Python you have consumes all the memory on your machine when you run Autodock4.py, you have to fix that first before trying to continue with Docking.
Are you using Windows? You can try reinstalling python on your machine or if not, you can use WSL and try to run everything from there.
Good luck!
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