Closed Layne-Huang closed 1 year ago
Hi, to use docking.py
you should install conda environment defined in adt.yml
. When you installed the environment, the prepare_receptor4.py
file were automatically installed. You can check whether you have successfully installed the environment by directly tapping prepare_receptor4.py
and qvina2
in the terminal
.
Hi,
I have used your vina score script "docking.py" recently. However, I have met the following error,
I found that error was caused by the missing script “prepare_receptor4.py ”.
Could you please help me solve it or provide this script?
Thank you for your attention.