[Dock-fans] How do I do MULTIPLE DOCKING using DOCK6 ?

Garisekurthi Satheesh gschembio at uohyd.ac.in
Sat Jun 27 10:04:33 PDT 2015


Thanks a lot..

On Sat, Jun 27, 2015 at 6:28 PM, Trent E. Balius <tbalius at aol.com> wrote:

>  Hi Garisekurthi,
>
> You will need to have your ligands all in one file: a multimol2 file.
> You should give dock your multimol2 file using the parameter "
> ligand_atom_file".
>  I would recommend using flexible ligand docking (instead of rigid ligand
> docking) for most applications:
> http://george.ams.sunysb.edu/SB2010/FLX.in
>
> I hope that this helps,
>
> Trent
>
>  ======================================
> Trent E. Balius, PhD
> Postdoc, Shoichet Lab,
> Dept. Pharm. Chem., UCSF
> Phone: (415) 514-4253
> URL: http://docking.org/~tbalius
> ======================================
>
>
>  -----Original Message-----
> From: Garisekurthi Satheesh <gschembio at uohyd.ac.in>
> To: dock-fans <dock-fans at docking.org>
> Sent: Fri, Jun 26, 2015 10:59 pm
> Subject: [Dock-fans] How do I do MULTIPLE DOCKING using DOCK6 ?
>
>   Hello,
>
>  I am new to DOCK6, I want to do docking of multiple ligands and I don’t
> understand how I can include multiple ligands in rigid.in file. If I use
> path of ligands folder, it was not worked.
>
>  Please give me your answer regarding multiple ligands processing and
> docking.
>
>  Thanks
>
>
>
> _______________________________________________
> Dock-fans mailing
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>
>
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