Avogadro don't recognize bond order from .xyz

[mandaro]

Hello,
Can you introduce Perceive Bonds option? The .xyz loaded structure is all single-bonds although it is aromatic.
Thanks

[ghutchis]

I don’t know what version of Avogadro you’re using, so it’s a little hard to help.

Current versions of Avogadro (e.g. 1.99, 1.100, nightly builds) all attempt to perceive bond orders. The implementation is not quite as thorough as Open Babel (which is available in the menu) but it’s a lot faster.

If you have a structure that stumps a nightly build, it would help if you can share it so I can figure out why it gave up.

[mandaro]

I use Avogadro 2 (v.1.100) on MacOS 10.15
Please find attached the example file that is not working.
job.xyz (3.6 KB)

[ghutchis]

I’m not sure how you want to assign bond orders. I don’t see how you can do that without having a charged molecule?

Open Babel does this:

But this leaves two carbon atoms with three single bonds.

What’s the actual species?