Figure 5
From: A lightweight, flow-based toolkit for parallel and distributed bioinformatics pipelines
MD-based loop refinement. This pipeline illustrates a series of steps to perform MD simulation-based refinement of homology model loops, using the workflow paradigm. Piper nodes are numbered in this figure (for ease of reference), and can be classified into (i) those that handle input/output (grey; 1, 10); (ii) those that execute calculations serially (light blue; 2, 4, 5, 6, 8, 9); and (iii) more compute-intensive nodes, which utilize a parallel NuMap (orange; 3, 7). A detailed description of this use-case is available in the Additional File (§2).