seal
1
I believe this to be a bug with Avogadro
Environment Information
Avogadro version: 1.97.0 shader build
Operating system and version: macOS 12.5.1
Expected Behavior
Start with
I want to change the C-C single bond (upper right) to a double bond. I try to do it two ways:
Click on a bond:
Or select
And clicking on one atom drag to another:
That said, if I click on a bond and then clicking one and dragging to another, I do get the right thing:
seal
2
Actually, thereās another thing ā I canāt optimize this structure:
For reference, the force field is set to āforcefieldsā. But this could be part of the update to force fields that youāve mentioned elsewhere.
I donāt know which build youāre using - Iām pretty sure the hydrogen bug was fixed recently. Iād suggest a nightly build:
https://two.avogadro.cc/
No, that looks like there was a problem building Open Babel with that version.
1 Like
seal
5
I used this one from ~6 days ago
Right. I just donāt know if that has all the other fixes in it. The hydrogen bug was annoying - took ages to track down.