MoCalc: Molecular Calculation Interface is a graphical user interface for the molecular modeling programs Gamess1, Mopac2, Tinker3, Babel4 and Rasmol5. MoCalc helps the user in the preparation of input files, the submission of calculations, the analysis of the results and the visualization of the involved chemical structures. Some properties can also be calculated by MoCalc.
The construction of MoCalc system followed the conventional pattern adopted for programs designed for Microsoft Windows environment. The users familiar with this operating system won't have difficulties in most of the tasks MoCalc is capable to execute.
The MoCalc development team has made a great effort to create a useful scientific tool. In the coming years, we will try to improve the MoCalc operation capabilities so that it can become more powerful and easier to use. We hope MoCalc can satisfy your expectancy.
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