[Chimera-users] Large scale drug screening with chimera

[Elaine Meng]

Dear Geunho Choi,
Sorry, this is not something you would do with Chimera.

Instead you would download a separate docking program to your computer and run that program directly (not using Chimera).  You would have to spend some time learning how to use that program.

There are many good docking programs developed by other groups; see their websites for download, instructions, tutorials, etc.
: 
Autodock Vina
<http://vina.scripps.edu/>
DOCK
<http://dock.compbio.ucsf.edu/index.html>
...many others... 

Or, for virtual screening of many drugs using a web service instead of your own computer, see DOCK Blaster:
<https://blaster.docking.org/>

After you do the docking separately from Chimera, you could still use the ViewDock tool in Chimera to analyze the output files.
<http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/viewdock/framevd.html>

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Jul 22, 2020, at 12:40 AM, 최근호 <cgh2797 at naver.com> wrote:
> 
> Dear officer,  I am geunho choi from korea. 
>  
> I am doing a docking simulation through chimera. 
>  
> My work is done in the order of dock prep -> autodock vina. 
>  
> If I need to docking 1 protein and 500 drugs, is there a way to docking it all at once? 
>  
> I really appreciate it if you help me. 
>  
> regards,
>  
> geunho choi