ECE498 Project: Molecular Surface Computation

• Project information sheet (PDF), (MSWord)

Density Map Synthesis

Density map synthesis and implicit surfaces literature
• A Generalization of Algebraic Surface Drawing
• Intro to Metaballs, Steve Hollasch

Density map synthesis coding references
• Partial CUDA implementation of Blinn's "blob" electron density map synthesis equation computed on a grid
• VMD VolMapCreate classes
• VMD isosurface extraction class
• VMD volumetric map management class
• VMD isosurface rendering class
• VMD volumetric texturing class
• VMD CUDA potential map class (use as a guide for getting high performance for density synthesis..)
• VMD Threads
• VMD DX volumetric map reader/writer plugin (use this format for density map reading/writing)
• VMD XYZ atomic structure file reader/writer plugin (use this format for atomic structure reading/writing)

Isosurface Extraction

Isosurface extraction literature
• Marching cubes: A high resolution 3D surface construction algorithm
• Discretized marching cubes
• Regularised Marching Tetrahedra: Improved Iso-surface Extraction
• Efficient implementation of Marching Cubes' cases with topological guarantees

Isosurface extraction coding references
• VMD Isosurface class
• Polygonising a scalar field
• OpenGL Geometry Shader Marching Cubes
• NVIDIA Sample:DX10: Practical Metaballs and Implicit Surfaces
• NVIDIA Sample:OpenGL/Cg Isosurf
• Microsoft Sample:Blobs Sample