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“High quality visualization of Molecular Skin Surface”
Mathieu Chavent, Bruno Lévy and Bernard Maigret
Journal of Molecular Graphics and Modelling, to appear

Abstract: Modeling and visualizing molecular surfaces is an important and challenging task in bioinformatics. Such surfaces play an essential role in better understanding chemical and physical properties of molecules. However, constructing and displaying molecular surfaces require complex algorithms. In this article, we introduce MetaMol, a new program that generates high-quality images in interactive time. In contrast with existing software that discretize the surface with triangles or grids, our program is based on a GPU-accelerated ray-casting algorithm that directly uses the piecewise-defined algebraic equation of the Molecular Skin Surface. As a result, both better performances and higher quality are obtained.

BibTex reference

@ARTICLE{chavent:HQV:2008,
   AUTHOR     = "Mathieu Chavent and Bruno Lévy and Bernard Maigret",
   TITLE      = "High quality visualization of Molecular Skin Surface",
   JOURNAL    = "Journal of Molecular Graphics and Modelling",
   YEAR       = "to appear",
}

Supplemental material, links, hindsight ...

The paper is also available online from sciencedirect .

Cecile Poisot developed some extensions (screen-space ambient occlusion) during her training period. Images are available here.