ADL: Virtual screening using autodock vina

Diogo Martins diogo.stmart at gmail.com
Mon Apr 27 09:56:19 PDT 2020


Hi Hiteshree,

The mailing list does not support attachments, can you upload them and
share a link? (e.g. to google drive)

Thanks,

On Mon, 27 Apr 2020 at 03:27, Hiteshree Buch <hiteshreebuch1996 at gmail.com>
wrote:

> Hello,
> I have been using autodock vina on windows 10 and ubuntu using vina
> manual. Also, in ubuntu I had run shell script for virtual screening but
> unfortunately in both the ways I got no results. As docking starts, it
> stops at the step “Performing search” (it just sticks at 0) and hence
> docking couldn’t proceed. I have kept it for 6-8 hours but it hasn’t even
> shifted from 0 to 10.
> I have tried to do protein-ligand docking and also virtual screening of
> one protein with 25 ligands, but at same stage it stops. What should I do?
> I am attaching a screenshot of what has happened and also the shell
> script.
> Kindly suggest a way to get rid of this problem.
> Thanks in advance.
>
> Sincerely,
> Hiteshree Buch
>
>
>
>
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> Date: Mon, 27 Apr 2020 15:55:53 +0530
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