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samirelanduk / atomium

Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
https://atomium.bio
MIT License
102 stars 19 forks source link

Adds atomic numbers #39

Closed FilipeMaia closed 2 years ago

FilipeMaia commented 2 years ago

Adds atomic number information accessible as a property in AtomStructure, just like the mass.

It also fixes some incorrect atomic masses for some synthetic elements.

FilipeMaia commented 2 years ago

Fixes #38

samirelanduk commented 2 years ago

This is great - thanks a lot.