MSEP-one/msep.one

Add an auto-posing (position & orientation) functionality for adding new atoms.

Opened this issue · 2 comments

Place the newly added atom at approximate equilibrium distance and equilibrium bond-angle. Dihedral angle trans (like in normal cubic diamond) or cis (like in exotic hexagonal diamond). Other software (e.g. Samson) provides at least the latter.
Why would this be helpful? This would allow for assembling structures with a higher number of manual addition operations before the next energy minimization run becomes necessary.
Priority: high
Labels: feature-request

Thank you, it seems like a good feature, adding to our backlog

PR has been merged, saydly the train for the next release has passed. There's no estimated time for a next release, sadly...