Point group detection

[al_chemist]

Dear users and experts,

I am trying to find Analysis → Properties → Symmetry like it is shown here (see the 1st answer):
https://mattermodeling.stackexchange.com/questions/14173/how-to-find-the-symmetry-unique-atoms-of-a-molecule-with-a-specified-point-group

I made sure to use version 1.100.0 following the installation procedure on the Fedora as:
flatpak install flathub org.openchemistry.Avogadro2
flatpak run org.openchemistry.Avogadro2

Could you please suggest how to get find this functionality on Avogadro2?

Thank you.

[ghutchis]

I’ll leave this to @matterhorn103 who has been working on the Flatpak. It sounds like what you installed doesn’t have libmsym which handles the symmetry perception.

I believe there’s a beta release available:

flatpak remote-add --if-not-exists flathub-beta https://flathub.org/beta-repo/flathub-beta.flatpakrepo
flatpak install org.openchemistry.Avogadro2//beta

[Thomas]

@al_chemist An alternative could be to use the Linux AppImage instead (functional at least in recent releases of Linux Debian, Ubuntu; OpenSuse).

[ghutchis]

I realized the problem. We switched the Linux builds to use Qt6 for the 1.100 release, but only recently integrated the point group symmetry code. (It required more work than other parts of the code.)

Any nightly build should work.

[matterhorn103]

I was going to say, libmsym is being built for the Flatpak.

[al_chemist]

Thanks to everybody who replied!

Flatpak with beta did not work, but the nightly appimage does have this sweet functionality.

[matterhorn103]

Yeah, the beta Flatpak didn’t have it until now because there was a bug preventing updating it, and since that was fixed a couple of days ago I hadn’t got round to pushing the update.

I’ve done that tonight though, so the beta Flatpak now should have it too.