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mittinatten / freesasa

C-library for calculating Solvent Accessible Surface Areas
http://freesasa.github.io/
MIT License
110 stars 36 forks source link

Support for CIF format #48

Closed danny305 closed 3 years ago

danny305 commented 4 years ago

We use freeSASA in our ML data engineering stack and we are currently moving our stack from the pdb file format to the new format (mmCIF/CIF). I am wondering if the freeSASA library developers plan on moving the library to the new format anytime soon?

Danny

danny305 commented 3 years ago

It was a pleasure working with you!! Thanks for working so close with me on my first contribution to open-sourced software. You helped me believe that I can actually contribute!

I'll bug you again when it's time to add cif Python bindings.