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Problem DescriptionThe Envision Center for Data Perceptualization is tasked with developing visualizations for Purdue Chemical Engineering's Catalyst Design by Discovery Informatics project. The purpose of the project is to compile a database of experimental data and computational quantum chemical results and to utilize this resource for research in catalyst design.The visualization application will be used to view 3D molecular structures, statistical data, and dynamics simulations. Currently, a portion of the molecular structure visualization application is functional. Because of the increasing number of options for display, and the need to work with multiple data files, a menu system is needed to allow users to change parameters and to load and save data files. Proposed SolutionI intend to add a menu system to the visualization application that will allow users to modify display parameters and to load and save data and options. Specific features that could be implemented are listed in the next section. Goals for a successful solution are as follows:
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![]() Current molecular orbital visualization tool |
Most likely the fonts will be implemented as texture fonts using FreeType or a FreeType wrapper for OpenGL. Thread safety of available libraries is an issue that will determine which libraries could be used. Glyphs could be rendered offline or rendered when needed and cached for later use.