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More and more chemists carry out scientific research using computation. In this process, computational chemistry software has played a very important role. Among these computational chemistry software, Gaussian is very prominent. The most essential user interface of Gaussian is scripting language, but software-oriented scripting language is a great burden to chemists. Meanwhile, chemists are increasingly using grid environment to do scientific research. So, it is significant to build a user-friendly and chemist-oriented Gaussian scripting language editing environment in grid. In this paper, we introduce GaussianScriptEditor to solve these problems. GaussianScriptEditor is on the basis of grid platform and its implementation is related to domain specific language (DSL), knowledge in computational chemistry, technology of compiling, ANTLR and DLTK.
Date of Conference: 27-29 Aug. 2009