This repo is here to help organise the Web Molecular Graphics (WMG) organisation brought together in the NII Shonan Meeting 2016.
One of the first tasks will be to decide how best to fill in the following blanks...
- help coordinate numerous efforts to provide molecular visualisation
- develop guidelines / good practices for UI
- connect users to developers to create better visualisations
- ... TODO
- face-to-face meetings (Shonan, Dagstuhl, ...?)
- publications
- sharing code
- ... TODO
- good question ... TODO
This group is currently being organised through GitHub - contact the following if you have any query related to the WMG organisation or GitHub:
- Bosco Ho (@boscoh)
- Ian Sillitoe (@sillitoe)
- Jon Wedell (@jonwedell)
Note: the ideal way of getting in touch is by raising an issue against this repo
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WMG Shonan Meeting?
Details of the WMG 2016 meeting can be found on the Shonan web site:
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What is a Shonan Meeting?
"NII International Meetings, following the well-known Dagstuhl Seminars, aim to promote informatics and informatics research at an international level, by providing yet another world’s premier venue for world-class scientists, promising young researchers, and practitioners to come together in Asia to exchange their knowledge, discuss their research findings, and explore a cutting-edge informatics topics.
"The meetings are held in Shonan Village Center (near Tokyo) which offers a combination of facilities for conferences, trainings, lodging in a resort-like setting. The friendly and open atmosphere is to promote a culture of communication and exchange among the meeting participants. The NII International Meetings are managed by National Institute of Informatics (NII) in Japan."
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Web Molecular Graphics?
"There is a rapidly growing wealth of molecular structure data that has been derived from experimental methods (e.g., X-ray crystallography, NMR spectroscopy, electron microscopy) and are freely provided from the international database PDB, Protein Data Bank, as well as computational methods, such as molecular dynamics. These data provide scientists today with unprecedented insight into a wide range of molecular phenomena, for example protein function, biological membrane transport, or material properties.
"The amount of data is steadily growing in size as well as in complexity: more protein structures, larger protein structures (big complexes) and time-resolved data, such as molecular dynamics trajectories. In the near future, these data may increase in scale to include, for example, complex cellular machineries and whole living cells. A key challenge is to make all of these data accessible to scientists, in ways that enable interpretation and the generation of new research insights.
"Fortunately, nowadays almost all scientists – even students – have easy access to computer graphics capabilities powerful enough to show a wide variety of molecular structures. With modern bandwidth speeds, it is even feasible to stream complex, interactive molecular graphics into simple devices such as an iPad or iPhone, via GPU-rendering on a remote server. Thus, it is now possible to depict and explore 3D models in regular browsers, such as Mozilla Firefox, Internet Explorer or Google Chrome. This allows to bring 3D molecular visualisation tools to non-expert end users without the need to install specialised software. However, in times of a steadily growing amount of data, improved visualization methods and tools are urgently needed, which can make the more complex data accessible and interpretable."
http://shonan.nii.ac.jp/shonan/blog/2015/10/30/web-based-molecular-graphics/