ProteinShader: illustrative rendering of macromolecules

BackgroundCartoon-style illustrative renderings of proteins can help clarify structural features that are obscured by space filling or balls and sticks style models, and recent advances in programmable graphics cards offer many new opportunities for improving illustrative renderings.ResultsThe ProteinShader program, a new tool for macromolecular visualization, uses information from Protein Data Bank files to produce illustrative renderings of proteins that approximate what an artist might create by hand using pen and ink. A combination of Hermite and spherical linear interpolation is used to draw smooth, gradually rotating three-dimensional tubes and ribbons with a repeating pattern of texture coordinates, which allows the application of texture mapping, real-time halftoning, and smooth edge lines. This free platform-independent open-source program is written primarily in Java, but also makes extensive use of the OpenGL Shading Language to modify the graphics pipeline.ConclusionBy programming to the graphics processor unit, ProteinShader is able to produce high quality images and illustrative rendering effects in real-time. The main feature that distinguishes ProteinShader from other free molecular visualization tools is its use of texture mapping techniques that allow two-dimensional images to be mapped onto the curved three-dimensional surfaces of ribbons and tubes with minimum distortion of the images.

[1]  Carl Branden Introduction to Protein Structure Second Edition , 2009 .

[2]  M Nilges,et al.  High Resolution NMR Solution Structure of the Leucine Zipper Domain of the c-Jun Homodimer* , 1996, The Journal of Biological Chemistry.

[3]  J Deisenhofer,et al.  Mechanism of ribonuclease inhibition by ribonuclease inhibitor protein based on the crystal structure of its complex with ribonuclease A. , 1996, Journal of molecular biology.

[4]  Giovanna Ghirlanda,et al.  Membrane Proteins , 2013, Methods in Molecular Biology.

[5]  Информатика Portable Network Graphics , 2010 .

[6]  T. N. Bhat,et al.  The Protein Data Bank , 2000, Nucleic Acids Res..

[7]  Jakob Andreas Bærentzen,et al.  Single-pass wireframe rendering , 2006, SIGGRAPH '06.

[8]  Eric Martz,et al.  Protein Explorer: easy yet powerful macromolecular visualization. , 2002, Trends in biochemical sciences.

[9]  K Schulten,et al.  VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.

[10]  The hermite interpolation , 1993 .

[11]  R A Sayle,et al.  RASMOL: biomolecular graphics for all. , 1995, Trends in biochemical sciences.

[12]  J. Navaza,et al.  THE CRYSTAL-STRUCTURE OF WILD-TYPE GROWTH-HORMONE AT 2.5 ANGSTROM RESOLUTION. , 1995 .

[13]  Thomas Strothotte,et al.  Real-Time Halftoning: A Primitive for Non-Photorealistic Shading , 2002, Rendering Techniques.

[14]  Paolo Cignoni,et al.  Ambient Occlusion and Edge Cueing for Enhancing Real Time Molecular Visualization , 2006, IEEE Transactions on Visualization and Computer Graphics.

[15]  G. Malpeli,et al.  Structure of pig plasma retinol-binding protein at 1.65 A resolution. , 1998, Acta crystallographica. Section D, Biological crystallography.

[16]  G. Schulz,et al.  Porin conformation in the absence of calcium. Refined structure at 2.5 A resolution. , 1993, Journal of molecular biology.

[17]  H. Bernstein Recent changes to RasMol, recombining the variants. , 2000, Trends in biochemical sciences.

[18]  J. Richardson,et al.  The anatomy and taxonomy of protein structure. , 1981, Advances in protein chemistry.

[19]  C. Branden,et al.  Introduction to protein structure , 1991 .

[20]  K Namba,et al.  Structure of 3-isopropylmalate dehydrogenase in complex with 3-isopropylmalate at 2.0 A resolution: the role of Glu88 in the unique substrate-recognition mechanism. , 1998, Structure.

[21]  Thomas Strothotte,et al.  Real-Time Halftoning: Fast and Simple Stylized Shading , 2004 .

[22]  Jim X. Chen,et al.  OpenGL Shading Language , 2009 .

[23]  J. Wells,et al.  High-resolution epitope mapping of hGH-receptor interactions by alanine-scanning mutagenesis. , 1989, Science.

[24]  B. Chait,et al.  The structure of the potassium channel: molecular basis of K+ conduction and selectivity. , 1998, Science.

[25]  Ken Shoemake,et al.  Animating rotation with quaternion curves , 1985, SIGGRAPH.