ADL: Analyzing autodock results - Virtual Screening

Gustavo Machado Alvares de Lima gustavo.machado.lima at usp.br
Thu Jun 6 08:59:27 PDT 2013


Hi all,

I wrote a simple python code to read log files and arrange best poses
automatically. You only have to put rank.py file in the working folder and
run it from terminal as follows:

$ python rank.py 25

To select best 25 poses from your virtual screening.
Currently, it will work perfectly for ZINC database.

I hope it is useful.

Best regards,
Gustavo


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