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SWC Designs is a website exhibiting the work of Thomas Linstead (Degree of Masters of Computing with First Class Honours in Computer Graphics)


Haptic Interactive Molecular Docking Software

Masters Dissertation Project. Grade: 77.95% (FIRST CLASS)

My Masters year project was to develop a piece of software as part of a team to simulate molecular docking of molecules. Molecular Docking involves positioning at least two molecules together to form a suitable best 'fit' complex. The software created allowed for the ability to load data files from the Protein Data Bank and see a visual representation of the molecules. These molecules can be moved and collide with other, together with interaction with a haptic feedback device. Realistic approximates of the force acting between the molecules are also calculated and force feedback provided to the user. The project involved C# development for the main application using OpenTK for OpenGL functionality and custom molecular DLL libraries.

Spheres Spheres Spheres Spheres

Demonstration Presentation:

Download the final application here: Interactive Molecular Docking Application

Source Code Repository: https://bitbucket.org/Thomaslinstead/mcompproj/src/

By Thomas Linstead, Adam Aldridge, John Gilbey and Sam Westlake.

Programming Languages: C#, OpenTK (OpenGL), C++ (Dll).
2014-05-23