Highlights of our Work
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Computer simulations of biological systems have approached the scale of whole cells and organelles, pushing VMD to its limits. VMD 2 can now load particular structures about ten times faster. Two of its analysis routines have moved to GPUs for the first time: solvent-accessible surface area (76x faster) and contact analysis (up to 420x faster), making molecular analysis on billion-atom cellular systems practical. Additionally, VMD 2 now draws molecules using a new (ANARI) standard on latest NVIDIA machines and a rewritten internal ray tracer, producing atomistic views of mitochondrion and viruses. Multi-node rendering is coming next, bringing interactive, cell-scale models within reach.



