YASARA View is a molecular graphics tool that enables visualization of molecular structures on all devices, from smartphones to workstations. It addresses the challenge of rendering large molecular structures with atomic detail by distributing the workload between the GPU and multiple CPU cores. This approach allows for high-quality visualization with perfectly round spheres, shadows, and ambient lighting, using only OpenGL 1.0 functionality without requiring pixel-shader or Z-buffer access, which is not available on most mobile devices. YASARA View is freely available for Linux, macOS, Windows, and Android (Intel) from www.YASARA.org.
The algorithm uses 'impostors'—precalculated textures that replace complex molecular structures with simpler representations. This method reduces the number of triangles needed for rendering, allowing for faster and more efficient visualization. For example, a water molecule can be rendered with just 14 triangles instead of 960. The algorithm also handles moving atoms, enabling interactive molecular dynamics simulations on mobile devices.
The approach involves the CPU transforming atom coordinates, calculating intersections, and generating a temporary Z-buffer to determine which pixels are affected by intersections. Shadows and ambient lighting are calculated per atom, not per pixel, using a low-resolution depth map. The algorithm has limitations, including the need to mix atom colors from two standard colors in the texture, a limit on maximum atom size, and the lack of support for transparent atoms.
The method has been tested on various devices, achieving frame rates of 4–12 fps on a smartphone and up to 15 fps on a tablet. It is significantly faster than other molecular visualization tools, though it does not support shadows. The algorithm is part of the NewProt project, funded by the European Commission.YASARA View is a molecular graphics tool that enables visualization of molecular structures on all devices, from smartphones to workstations. It addresses the challenge of rendering large molecular structures with atomic detail by distributing the workload between the GPU and multiple CPU cores. This approach allows for high-quality visualization with perfectly round spheres, shadows, and ambient lighting, using only OpenGL 1.0 functionality without requiring pixel-shader or Z-buffer access, which is not available on most mobile devices. YASARA View is freely available for Linux, macOS, Windows, and Android (Intel) from www.YASARA.org.
The algorithm uses 'impostors'—precalculated textures that replace complex molecular structures with simpler representations. This method reduces the number of triangles needed for rendering, allowing for faster and more efficient visualization. For example, a water molecule can be rendered with just 14 triangles instead of 960. The algorithm also handles moving atoms, enabling interactive molecular dynamics simulations on mobile devices.
The approach involves the CPU transforming atom coordinates, calculating intersections, and generating a temporary Z-buffer to determine which pixels are affected by intersections. Shadows and ambient lighting are calculated per atom, not per pixel, using a low-resolution depth map. The algorithm has limitations, including the need to mix atom colors from two standard colors in the texture, a limit on maximum atom size, and the lack of support for transparent atoms.
The method has been tested on various devices, achieving frame rates of 4–12 fps on a smartphone and up to 15 fps on a tablet. It is significantly faster than other molecular visualization tools, though it does not support shadows. The algorithm is part of the NewProt project, funded by the European Commission.