MetaMol: High quality visualization of molecular skin surface. Modeling and visualizing molecular surfaces is an important and challenging task in bioinformatics. Such surfaces play an essential role in better understanding the chemical and physical properties of molecules. However, constructing and displaying molecular surfaces requires 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 discretizes 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.
Keywords for this software
References in zbMATH (referenced in 3 articles )
Showing results 1 to 3 of 3.
- Liu, Tiantian; Chen, Minxin; Lu, Benzhuo: Efficient and qualified mesh generation for Gaussian molecular surface using adaptive partition and piecewise polynomial approximation (2018)
- Yan, Ke; Cheng, Ho-Lun; Ji, Zhiwei; Zhang, Xin; Lu, Huijuan: Accelerating smooth molecular surface calculation (2018)
- Decherchi, Sergio; Colmenares, Jose; Catalano, Chiara Eva; Spagnuolo, Michela; Alexov, Emil; Rocchia, Walter: Between algorithm and model: different molecular surface definitions for the Poisson-Boltzmann based electrostatic characterization of biomolecules in solution (2013)