GridMol: a grid application for molecular modeling and visualization
In this paper we present GridMol, an extensible tool for building a high performance computational chemistry platform in the grid environment. GridMol provides computational chemists one-stop service for molecular modeling, scientific computing and molecular information visualization. GridMol is not only a visuali zation and modeling tool but also simplifies control of remote Grid software that can access high performance computing resources. GridMol has been successfully inte grated into China National Grid, the most powerful Chinese Grid Computing platform. In Section Grid computing of this paper, a computing example is given to show the availability and efficiency of GridMol. GridMol is coded using Java and Java3D for portability and cross platform compatibility (Windows, Linux, MacOS X and UNIX). GridMol can run not only as a stand-alone appli cation, but also as an applet through web browsers. In this paper, we will present the techniques for molecular visu alization, molecular modeling and grid computing. GridMol is available free of charge under the GNU Public License (GPL) from our website: http://www.sccas.cn/ ～syh/GridMol/index.html Contact: syh@sccas.cn.
Grid computing GridMol Java 3DTM Molecular visualization Molecular modeling One-stop service Protein secondary structure
Yanhua Sun Bin Shen Zhonghua Lu Zhong Jin Xuebin Chi
国际会议
广州
英文
217-227
2008-11-01（万方平台首次上网日期，不代表论文的发表时间）