PolyGraph: a Polymer Visualization system

ORAL

Abstract

Rapid advances in computational hardware and parallelization have made complex simulations of large polymers increasingly ubiquitous. However, visualizing such simulations remains a challenge. Here we present PolyGraph, a Blender-powered visualization system for complex polymer simulations. As a specific example, we study molecular dynamics simulations of condensing polymers. We illustrate our initial simulation results, suggesting that formation of local beads is an initial step in the condensation process. (This finding is consistent with earlier conjectures about polymer condensation.) PolyGraph makes it possible to create precise and visually appealing clips of polymer simulations. *contributed equally

*This work is supported by NIH Grants 1P50HG006193-01 (Center for Cell Circuits) and 1DP2OD008540-01 (NIH New Innovator Award).

Authors

  • Ashok Cutkosky*

    • Harvard University
  • Najeeb Tarazi*

    • Harvard University
  • Erez Lieberman Aiden

    • Harvard University