[chimerax-users] How to view SwissDock output in ViewDockX

Elaine Meng meng at cgl.ucsf.edu
Tue Feb 9 11:09:42 PST 2021


Hi Michael,
Although the Swissdock website can output a Chimera session, I believe you can also get the docking results in at least one other format.  However, I don't see details about what that is,  so it would be helpful if you would provide a sample of what you got (multi-model PDB?) and opened in ChimeraX.  Can send it to just me (to share with other developers here) if you don't want it publicly available.

I tried running their example but got a server error on the first attempt, and the second attempt is still running.

My guess is that the ViewDockX tool doesn't know that the Swissdock file you opened could be docking results.  However, we would need a sample to figure out exactly why, or if it is possible to fix that.
Thanks,
Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Feb 9, 2021, at 10:33 AM, Tom Goddard <goddard at sonic.net> wrote:
> 
> On Feb 9, 2021, at 3:56 AM, Michael Weber wrote:
> 
> Hi,
> 
> ... I use SwissDock for molecular docking experiments and there is an explanation on how to examine the output results in Chimera. Unfortunately all those workflows appear not to work in ChimeraX - are there any plans (or even already existing documentation which very well might have escaped my attention) to get these working in ChimeraX as well? Invoking ViewDockX from either the menu >tools>general>ViewDockX or by typing the command after having loaded a PDB structure plus the docked ligands just results in the message "No suitable models found for ViewDockX".
> 




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