About using constraint based optimisation in Avagadro 1.97

General Discussion
1

As in Avogadro 1.2.0 in windows or Linux, I would like to make use of constraint based geometry optimisation (i.e., doing geometry optimisation for selected atoms) in Linux with Avogadro 1.97.0, where I can’t even select atoms in it. Please let me know how to perform this and please help me out with the issue of selecting atoms.

Thanking you,
Snehith.

2

I don’t know about that, but please try a nightly AppImage build?

At the moment, the new geometry optimization framework (including constraints) is not yet finished. I hope to have an initial version (not necessarily including constraints) by the end of the month, along with a 1.98 release. (Perhaps June 23 => 06/23 in US format?)