[chimerax-users] How to complete docking with ChimeraX

[Elaine Meng]

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