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Visualization of beta barrel protein structure using atom sphere rendering: Each atom is rendered as a colored sphere of the Van-der-Waals radius associated with its element. |
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Visualization of beta barrel protein structure using bond cylinder rendering: Covalent bonds are rendered as bi-colored cylinders of fixed radius. Hydrogen bonds are rendered as dotted yellow lines. |
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Visualization of beta barrel protein structure using cartoon rendering: Alpha helices are rendered as spirals, beta strands are rendered as arrows to indicate direction, and coil regions are rendered as tubes. Hydrogen bonds are rendered as dotted yellow lines. |
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Initial configuration of protein T174, a prediction target from the CASP5 protein structure prediction competition containing 417 amino acid residues, as created by ProtoShop from reading a prediction file containing only amino acid sequence and secondary structure information. |
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One configuration of T174 generated using ProtoShop and manual/semiautomatic structure alignment. In this case, all ten beta strands are aligned to form a single, fully anti-parallel, beta sheet. Compact layout of alpha helices and coil regions around the constructed sheet were not attempted, since those are best handled by a global optimization algorithm. |
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An alternative structure for T174 with a different strand permutation and purely parallel alignment. |
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A configuration of T174 using a somewhat fancier beta barrel alignment. Again generated purely by manual interaction and without consideration for compact helix/coil arrangement. |
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Close-up of beta barrel alignment for T174, with atom/atom collisions visualized as red spheres of radius proportional to penetration depth. All collisions in this structure are shallow enough to be automatically cleaned up by subsequent optimization. |
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Photograph of myself manipulating an alpha-helical protein using the Virtual Reality setup on our Power Wall. Unfortunately, the Power Wall projectors do not support stereographic rendering.
Update: We just started installing our new, stereo-capable, tiled display wall. It should be up and running in about two weeks or so. |