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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.
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.