I want to try virtual screening of a proteins ligand by using ADT, but I don't know how to call the ADT software and then use it. I tried for several times but sometimes it told me the script of ADT had some error...... I am very puzzled. Is there any one have did it before or did virtual screen by other software which is friendly with python or support processing batch?
Thank you!
Hello Yang,
You can follow the following link. I hope it helps.
http://autodock.scripps.edu/faqs-help/how-to/how-to-setup-adt-scripts
Anubhav
Hello Yang,
What is the command you are using, if you are using a windows system then make sure your are using the whole path to the executable where autodock is installed.
Sahay
you may try BINANA python package
https://omictools.com/bining-analyzer-tool
Dear Tarek
I tried the BINANA these days but it seems have something wrong with the script. I tried to open and run it but Pycharm. It first told me that there are incorrected retractions. After I checked it the Pycharm told me this(in picture) and I don't know how to deal with it.
Thank you for your help！
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