Hi Ute,

Thanks for these suggestions. We are looking to rewrite the ViewDockX tool using a Qt-based interface because its current HTML-based user interface is difficult for our current development team to work with (the original implementer retired). We hope to get the rewrite done in the near term, but that would probably still be a few months, and will look to incorporate your suggestions as part of (or soon after) the rewrite.

However, automatically launching ViewDockX as part of opening the appropriate file doesn't require that rewrite, so I have implemented that, and it will be available in the next daily build.

--Eric

Eric Pettersen

UCSF Computer Graphics Lab

On Aug 21, 2023, at 1:09 AM, Ute Roehrig via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:

Dear ChimeraX Developers,

thank you very much for developing and providing ChimeraX!

I was wondering if you could make the ViewDockX command more user friendly, especially providing the following features:

When opening a docking results file (format SwissDock/Dock/Vina/Glide), launch the ViewDockX tool automatically
In the ViewDockX table, provide the possibility to select several poses by Shift+clicking on several lines in the table (the way it was working in Chimera)
Let the user automatize/customize the columns he wants to see by default (provide columns as option in the command line?)

Thank you very much for considering these points,

Ute

--

Ute Roehrig

SIB | Swiss Institute of Bioinformatics
Unil, Quartier Sorge, bâtiment Amphipôle, 1015 Lausanne
t: +41 21 692 40 86 - f: +41 21 692 40 65
Ute.Roehrig@sib.swiss - http://www.sib.swiss

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