From heat maps/coordinates to folded protein structures.

[WikGitHub]

Does anyone know if there is a way of going from having a file containing unit cells + atoms to a folded protein structure via Rosetta?

I am following the pipeline shown here on slide 8: https://people.cs.vt.edu/dbhattacharya/courses/cs6824/Paper2.pdf, where it shows the usage of heat maps generated from atom locations to infer protein structure, this is either done via ADMM or Rosetta.

This is what I have managed to generate with Composition-Conditioned-Crystal-GAN:

my aim now is to get from these coordinates to folded structures.