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Added get_mass function to structure object

Open FriederikeBiermann opened this issue 10 months ago • 0 comments

I added a small function that calculates the exact mass (average mass, not monoisotopic) of a structure object. I think it will be neat for everyone using it for NP discovery utilizing MS. Additionally, I added a function to retrieve the sum formula.

FriederikeBiermann avatar Apr 03 '24 14:04 FriederikeBiermann