Gridmol: a grid application for molecular modeling and visualization
文献类型：期刊论文
| 作者 | Sun, Yanhua; Shen, Bin; Lu, Zhonghua; Jin, Zhong; Chi, Xuebin |
| 刊名 | Journal of computer-aided molecular design
 |
| 出版日期 | 2008-02-01 |
| 卷号 | 22期号:2页码:119-129 |
| ISSN号 | 0920-654X |
| 关键词 | Grid computing Gridmol Java 3d (tm) Molecular visualization Molecular modeling One-stop service Protein secondary structure |
| DOI | 10.1007/s10822-008-9183-x |
| 通讯作者 | Sun, yanhua(syh@sccas.cn) |
| 英文摘要 | 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 visualization and modeling tool but also simplifies control of remote grid software that can access high performance computing resources. gridmol has been successfully integrated 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 application, but also as an applet through web browsers. in this paper, we will present the techniques for molecular visualization, molecular modeling and grid computing. gridmol is available free of charge under the gnu public license (gpl) from our website: http://www.sccas.cn/similar to syh/gridmol/index.html. |
| WOS研究方向 | Biochemistry & Molecular Biology ; Biophysics ; Computer Science |
| WOS类目 | Biochemistry & Molecular Biology ; Biophysics ; Computer Science, Interdisciplinary Applications |
| 语种 | 英语 |
| 出版者 | SPRINGER |
| WOS记录号 | WOS:000252993200007 |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2374107 |
| 专题 | 计算机网络信息中心 |
| 通讯作者 | Sun, Yanhua |
| 作者单位 | Chinese Acad Sci, Super Comp Ctr, Comp Network Informat Ctr, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Sun, Yanhua,Shen, Bin,Lu, Zhonghua,et al. Gridmol: a grid application for molecular modeling and visualization[J]. Journal of computer-aided molecular design,2008,22(2):119-129. |
| APA | Sun, Yanhua,Shen, Bin,Lu, Zhonghua,Jin, Zhong,&Chi, Xuebin.(2008).Gridmol: a grid application for molecular modeling and visualization.Journal of computer-aided molecular design,22(2),119-129. |
| MLA | Sun, Yanhua,et al."Gridmol: a grid application for molecular modeling and visualization".Journal of computer-aided molecular design 22.2(2008):119-129. |
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来源：计算机网络信息中心
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