[chimerax-users] How to complete docking with ChimeraX

[刘 金鑫]

Thanks, What a pity. I hope to add some simple functions, such as protein energy minimize.



Best Regards,
Jinxin Liu
Wuxi AppTec

Phone: +86-18811123206
WeChat: ljx_19901018
E-mail: liu_jinxin at wuxiapptec.com or jinxinliu90 at icloud.com

> 在 2022年7月11日，22:50，Elaine Meng <meng at cgl.ucsf.edu> 写道：
> 
> Hi Jinxin,
> Sorry, ChimeraX does not have a tool to run docking calculations. We currently recommend using the docking program directly (Autodock Vina, DOCK, or others), not from inside Chimera/ChimeraX.  After you get the output docking results file, you can open and analyze it using Chimera's ViewDock tool or ChimeraX's ViewDockX tool.
> 
> ViewDockX:
> <https://rbvi.ucsf.edu/chimerax/docs/user/tools/viewdockx.html>
> 
> The Chimera tool "Autodock Vina" is not recommended for most research purposes anyway, because it does not allow very much sampling or searching a ligand database -- see the warning in the bottom part of the gray box on the help page:
> <https://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.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 11, 2022, at 2:29 AM, 刘 金鑫 via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
>> 
>> Dears,
>> I want to use ChimeraX to dock. The old version can combine with Vina. But I cann't to find the menu in the ChimeraX.
>> Would it be possible?
>> Best regards
>> Jinxin
>