Hi Chimera team! I’d like to raise two points about the new ViewDock window: 1. It would be great to have a count of displayed ligands shown somewhere in the window. For now there’s no easy way – I either count them manually, or export a |mol2| file and use |grep ... | wc -l|. 2. If I sort ligands by something else than Total Energy (which is how they are sorted in the |mol2| file), and then use arrow keys to navigate the list (either in the ViewDock or in the 3D window) the ligands are being shown in a chaotic order, which appears to be the original order from the |mol2| file. Is it possible to fix this behavior? Thank you for the great work! Sincerely, Andrii
Hi Andrii, Those both sound like good improvements. I will open tickets for them in our issue-tracking database so that you will get notified as they get worked on. --Eric Eric Pettersen UCSF Computer Graphics Lab
On Feb 4, 2026, at 12:50 PM, Andrii Kyrylchuk via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hi Chimera team!
I’d like to raise two points about the new ViewDock window:
It would be great to have a count of displayed ligands shown somewhere in the window. For now there’s no easy way – I either count them manually, or export a mol2 file and use grep ... | wc -l.
If I sort ligands by something else than Total Energy (which is how they are sorted in the mol2 file), and then use arrow keys to navigate the list (either in the ViewDock or in the 3D window) the ligands are being shown in a chaotic order, which appears to be the original order from the mol2 file. Is it possible to fix this behavior?
Thank you for the great work!
Sincerely, Andrii
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Thank you so much, Eric! – Andrii On 2/4/26 1:03 PM, Eric Pettersen wrote:
Hi Andrii, Those both sound like good improvements. I will open tickets for them in our issue-tracking database so that you will get notified as they get worked on.
--Eric
Eric Pettersen UCSF Computer Graphics Lab
On Feb 4, 2026, at 12:50 PM, Andrii Kyrylchuk via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hi Chimera team!
I’d like to raise two points about the new ViewDock window:
1.
It would be great to have a count of displayed ligands shown somewhere in the window. For now there’s no easy way – I either count them manually, or export a |mol2| file and use |grep ... | wc -l|.
2.
If I sort ligands by something else than Total Energy (which is how they are sorted in the |mol2| file), and then use arrow keys to navigate the list (either in the ViewDock or in the 3D window) the ligands are being shown in a chaotic order, which appears to be the original order from the |mol2| file. Is it possible to fix this behavior?
Thank you for the great work!
Sincerely, Andrii
_______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
participants (2)
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Andrii Kyrylchuk -
Eric Pettersen