1.

What Is Packing? What Is Design?

Answer»

Packing is the process of putting sidechains onto a backbone, or optimizing the conformation of sidechains. Rosetta uses a SET of "rotamers" (discrete sidechain conformation samples derived from experimentally determined structures) and a Metropolis Monte Carlo simulated annealing process to determine which combination of rotamers produces the lowest energy for a given backbone.

Design in Rosetta uses the same packing MACHINERY as sidechain OPTIMIZATION, but instead of optimizing within the rotamers for a SINGLE amino acid, it CONSIDERS rotamers for a number of different amino acid identities.

Packing is the process of putting sidechains onto a backbone, or optimizing the conformation of sidechains. Rosetta uses a set of "rotamers" (discrete sidechain conformation samples derived from experimentally determined structures) and a Metropolis Monte Carlo simulated annealing process to determine which combination of rotamers produces the lowest energy for a given backbone.

Design in Rosetta uses the same packing machinery as sidechain optimization, but instead of optimizing within the rotamers for a single amino acid, it considers rotamers for a number of different amino acid identities.



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