MurrellGroup / Backboner.jl

Molecular backbone geometry utilities
https://murrellgroup.github.io/Backboner.jl/
MIT License
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Add dihedral angle functionality #8

Closed billera closed 9 months ago

billera commented 9 months ago
AntonOresten commented 9 months ago

I have no idea how pull requests, forks, and remotes work so I just created #9 with some tweaks and merged that into main.

Changes:

All this helped me realize that oxygen atoms shouldn't be part of the backbone, and we can probably leave that to the Chain type, see #10.