Figure 1.

Rosetta protocols execution model and RosettaScripts workflows. Components managed by conda‐based redistributable packages are highlighted in green, and RosettaScripts‐defined protocol components are highlighted in blue. (a) The Rosetta protocols‐level pipelined execution model. An input Pose (P) is modified by Mover (M) and Filter objects A and B, resulting in modified Pose P′ and score values A, B. (b) In a standard rosetta_scripts based workflow, a protocol pipeline is applied, and output is post‐processed via external scripts. (c) In the integrated workflow described in this work, multiple RosettaScripts‐encoded protocols and additional components are combined in an arbitrary dataflow within a single application