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Selected YASARA Screenshots

The screenshots below are taken directly from the YASARA window, the scenes can be interactively explored with YASARA's new Vulkan graphics engine, which supports real-time soft shadows, per-pixel ambient lighting and billions of atoms. OpenGL is still available for old graphics cards. Many additional screenshots can be found by following the links below:

Myosin
Figure 1: Myosin with ADP and some important residues highlighted
Gigastructures
Figure 2: Interactive visualization of giant structures, each of the 43 million atoms can be clicked, modified or analyzed
Genome
Figure 3: The genome builder, which takes a FASTA sequence file and nucleic acid binding proteins to build an entire genome, suitable for coarse-grained MD.
Crambin
Figure 4: A molecular dynamics simulation of crambin
Postsynapse
Figure 5: The postsynapse, a gigastructure built with YASARA. You can interactively zoom in and click, modify or analyze each of the 1.4 billion atoms
Coarse-grained simulations
Figure 6: Converting structures to a coarse-grained, rigid representation for faster MD simulation
Automated reports
Figure 7: With YASARA you can easily create your custom analysis, write the results to text tables or automatically create scientific reports
Sky sphere
Figure 8: A sky-sphere in the background, with reflections in protein secondary structure
Multiple timestep
Figure 9: YASARA's mixed multiple timestep algorithm to accelerate molecular dynamics simulations
Electrostatic potentials
Figure 10: Eight ways to visualize electrostatic potentials from Particle Mesh Ewald (PME) or Poisson-Boltzmann (PBS) calculations
Knowledge-based potentials
Figure 11: The 1D, 2D and 3D knowledge-based dihedral angle potentials of a serine residue in the YASARA force field
3D->2D
Figure 12: Turning 3D molecules into flat 2D structures for visualization as structural formulas
Interaction analysis
Figure 13: Analyzing cation-Pi interactions
Tiotropium
Figure 14: The small-molecule builder used to create tiotropium
Radial distribution function
Figure 15: Radial distribution function of water calculated from an MD trajectory
Outlines
Figure 16: Ray-tracing with the built-in POV-Ray in comic style, adding outlines via depth-buffer analysis
Ray-tracing
Figure 17: Ray-tracing with the built-in POV-Ray, adding granite textures
Crystal
Figure 18: A protein crystal including surfaces cut at the periodic boundaries
Cut plane
Figure 19: A molecular surface cut open by an interactive clipping-plane
Clickable images
Figure 20: An example macro that creates images/textures, shows text and a clickable button on each, and places them in bouncing spheres