iview: an interactive WebGL visualizer for protein-ligand complex

BMC Bioinformatics

Hongjian Li¹  Kwong-Sak Leung¹  Takanori Nakane²  Man-Hon Wong¹ 

[1] Department of Computer Science and Engineering, Chinese University of Hong Kong, Hong Kong, China

[2] Graduate School of Medicine, Kyoto University, Kyoto, Japan

关键词: Molecular docking;    Visualization;    Structural bioinformatics;   

Others  :  1087612
DOI  :  10.1186/1471-2105-15-56

 received in 2013-11-23, accepted in 2014-02-18,  发布年份 2014

【 摘 要 】

Background

Visualization of protein-ligand complex plays an important role in elaborating protein-ligand interactions and aiding novel drug design. Most existing web visualizers either rely on slow software rendering, or lack virtual reality support. The vital feature of macromolecular surface construction is also unavailable.

Results

We have developed iview, an easy-to-use interactive WebGL visualizer of protein-ligand complex. It exploits hardware acceleration rather than software rendering. It features three special effects in virtual reality settings, namely anaglyph, parallax barrier and oculus rift, resulting in visually appealing identification of intermolecular interactions. It supports four surface representations including Van der Waals surface, solvent excluded surface, solvent accessible surface and molecular surface. Moreover, based on the feature-rich version of iview, we have also developed a neat and tailor-made version specifically for our istar web platform for protein-ligand docking purpose. This demonstrates the excellent portability of iview.

Conclusions

Using innovative 3D techniques, we provide a user friendly visualizer that is not intended to compete with professional visualizers, but to enable easy accessibility and platform independence.

【 授权许可】

   
2014 Li et al.; licensee BioMed Central Ltd.

【 图 表 】

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