Mopac@home
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mopac@home | |
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Mopac@home logo | |
| 无屏保图形 | |
| 开发者 | |
| 版本历史 | 2006年3月20日 |
| 运算平台 | 
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| 项目平台 | BOINC |
| 程序情况 | |
| 任务情况 | |
| 项目状态 | 运行中/开放注册 |
| 项目类别 | |
| 优化程序 | 无 |
| 计算特点 | CPU密集： |
| 官方网址 | Mopac@home |
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mopac@home is a research project that uses Internet-connected computers to do research in quantum chemistry. You can participate by downloading and running a free program on your computer.
mopac@home is based atHelmholtzZentrum Muenchen
What is the use of mopac@home ?
The CADASTER project is an FP7-funded project by the EU that aims to provide a Decision Support System (DSS) to asses the hazard and risk for chemicals belonging to four compound classes. Therefore QSAR models will be developed and validated, as the basic philosophy behind this project is minimizing animal testing, costs, and time. These models need a solid base, which is primarily founded by the knowledge of reliable structures for chemical compounds. The semiempirical quantum chemistry program MOPAC can, aside from several other important chemical qualities, provide such structures.
Why should you join mopac@home ???
- Environment protection
The basic task of the CADASTER project is to protect the environment. Every single computed molecule can decisively contribute to improve the quality of models that asses the risk of a chemical compound to your ecosystem.
- Animal protection
The usual technique for assesment of hazard and risk, is animal experiments. Contrary to that, our scientific work aims to avoid these experiments. The data collected by mopac@home should enable QSAR-models that estimate toxicity without making living creatures suffer. By joining this project you can lessen the distress on animals.
- Scientific progress
The data contributed to mopac@home is not just relevant for the CADASTER project, but can fill a gap in chemical knowledge. Although there are a lot of chemical databases, they either do not focus on optimized chemical structures or only offer few structures. mopac@home is developed to provide not just one chemical conformation per molecule, but to optimize a whole set of initial conformations.
- Open project
All data gained by mopac@home is freely accessible by web. In our project every computed result is available here to anybody who has an internet connected computer. Our database also enables you to submit your molecules or molecule-conformations to be optimized by MOPAC.
如何加入项目
该项目基于 BOINC 平台，简要的加入步骤如下（已完成的步骤可直接跳过）：
- 下载并安装 BOINC 的客户端软件（官方下载页面或程序下载）
- 点击客户端简易视图下的“Add Project”按钮，或高级视图下菜单中的“工具->加入项目”，将显示向导对话框
- 点击下一步后在项目列表中找到并单击选中 mopac@home 项目（如未显示该项目，则在编辑框中输入项目网址：http://mopac.cadaster.eu/ ），然后点击下一步
- 输入您可用的电子邮件地址，并设置您在该项目的登录密码（并非您的电子邮件密码）
- 再次点击下一步，如项目服务器工作正常（并且有适合自身操作系统的计算程序），即已成功加入项目
更详细的加入方法说明，请访问 BOINC 新手指南 或 BOINC 使用教程。
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