Great idea!
At the moment, that’s not possible, but the command JSON API is a work in progress. So if i can summarize, you’d like:
- a separate json entry with the selected atoms
- more than one format
Should be pretty easy to add.
I’m also working on constraints for the new force field system, so if you have ideas on what constraints should be passed to scripts and/or the best way to represent them, please let me know.