Research And Implementation Of ChemMolViewer

With the computer technology widely applied to e-Chemistry, the computational chemistry resources such as software, equipment and data resources have avalanched, so chemical research more and more relies on the grid to solve the problems. Therefore, using the grid technology to establish grid computing platform can promote the development of e-Science system, computational chemistry even the chemical disciplines. E-Science on computational chemistry (e-Chemistry) is designed to establish a virtual platform, which bases on existing grid standards and supports the computational chemistry resources sharing, academic research and exchanges.Chemical structure is the most primitive and commonly used language to the chemists, and computational chemistry aims to explore the physical properties of compound from its structure, and find the compounds having commercial value. Therefore, the visualization of molecules in e-Chemistry is the basis of carrying out grid computing, but the commonly used molecular visualization software is not suitable for the grid platform. Accordingly, this research is to explore grid molecular visualization software ChemMolViewer, which is simple and easy to use for the chemists.Considering the requirement of molecular visualization in e-Chemistry, a molecular visualization tool—ChemMolViewer is developed, which can display all kinds of chemical files. This paper firstly does some researches on denotation and graphics rendering mechanism of chemo-information in CDK (Chemistry Development Kit) and JChemPanit, so as to viewer and edit two-dimensional chemical structure. And then with the integration of the Jmol, three-dimensional chemical structures have also been displayed. At last we research Biojava to represent the protein sequence.