No.086 Web-based Molecular Graphics


NII Shonan Meeting Seminar 086

Photo sharing

Since the official Dropbox is non-permanent and we cannot add to it, we have set up a Google account for photo sharing. In order to make the photo sharing internal to this meeting the details on where to find the photos are given on this protected page .

Visual summary

Here is our visual Shonan Meeting summary with the great drawing from Christian.

Visual summary

Group photo

Today we received our group photo. It will also be shown on the Shonan meeting web site.

Group photo

Excursion on Wednesday

We have uploaded the excursion program.

The excursion starts at 13:30 and returns at around 20:30.

The meeting point for the excursion is the hotel entrance.

Twitter feed

The twitter hashtag for the meeting is #wmg16 .


Talks and Breakouts

We have started a page that collects the talks, topics and results from breakout groups. To avoid clutter, the page has meanwhile been split into separate pieces for keynote talks and breakout groups.

The password has been announced in the meeting.

Final Program

Final Program

Final program of “Web-based molecular graphics”

Meeting Date

Shonan Village Center, September 5-8, 2016

(Check-in: night before, September 4, 2016)


  • Andrea Schafferhans, Technical University of Munich, Germany
  • Seán I. O’Donoghue, CSIRO & Garvan Institute, Australia
  • Haruki Nakamura, Institute for Protein Research Osaka, Japan

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.