No.086 Web-based Molecular Graphics


NII Shonan Meeting Seminar 086

Topics overview

  • Common visualization strategies, shader libraries, code bases, and standards for web molecular graphics.
  • Pros and cons of canvas, WebGL or other approaches.
  • Native JavaScript versus porting from Java (e.g., JSmol).
  • Fast web-based visualization of ‘big’ molecular data (e.g., very large molecular structures, molecular dynamics trajectories, massive assemblies such as whole organelles) via efficient transport across the web using data compression. Enabling a user experience with minimum load time.
  • Re-use and re-deployment, enabling molecular 3D structure data to be easily and reliably accessed by other services (e.g., enable protein-protein interaction systems or protein-small molecular systems to get information about molecular interaction surfaces.)
  • De facto conventions in molecular representation, coloring, layout, and visualization, with the aim of making molecular graphics easier to use and interpret, and to facilitate communication to peers or to the public.
  • Use of web molecular graphics for new types of educational content; making complex molecular stories more accessible and interactive.
  • Applications of 3D printing, or immersive stereo graphics to web molecular graphics.
  • Plans for ongoing engagement of the web molecular graphics community, either via presence in existing international meetings, or possibly creation of a new conference series.
  • Plans for international collaborative development, projects, and funding schemes that would support global research efforts in the development of web molecular graphics.



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