Highlights of our Work

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As the size and complexity of structurally resolved biomolecules continues to increase, researchers require ever more powerful visualization and analysis tools to gain understanding of their function and dynamics. The latest release of VMD, the leading molecular dynamics visualization tool, has unleashed the computational power of graphics processing units (GPUs) and multi-core CPUs enabling researchers to interactively study large biomolecular complexes on desktop computers as a matter of daily routine. VMD 1.8.7 includes many new and improved graphics algorithms enabling fast rendering of high resolution photorealistic molecular scenes. New graphical representations and coloring features enable visualization of carbohydrates, nanodevice structures, and results of quantum chemistry simulations. Fast GPU electrostatics algorithms reduce or eliminate the need for batch mode calculations, e.g., for computing electrostatics of large systems, accelerating them by a factor of 22-44. The latest improvements to the MultiSeq plugin enable processing of up to 100,000 sequences on a desktop computer. New and updated structure building tools ease construction of large all-atom and coarse-grained molecular models.