ADL: Analyzing autodock results - Virtual Screening

Avisek Mukhopadhyay avisekmukhopadhyay4 at gmail.com
Thu Jun 6 12:50:23 PDT 2013


thanks a lot

AVISEK MUKHOPADHYAY


On Thu, Jun 6, 2013 at 9:29 PM, Gustavo Machado Alvares de Lima <
gustavo.machado.lima at usp.br> wrote:

> 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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