1 00:00:01,010 --> 00:00:04,020 This video demonstrates our impostering framework for accelerating the rendering 2 00:00:04,030 --> 00:00:07,040 of quadric elements such as spheres, cylinders and helices 3 00:00:07,050 --> 00:00:09,060 for visualization of large bio-molecules 4 00:00:10,070 --> 00:00:12,080 We implement our framework in ProteinVis 5 00:00:12,090 --> 00:00:16,100 a tool for visualizing various representations of large biomolecules 6 00:00:16,110 --> 00:00:18,120 using standard desktop graphics hardware 7 00:00:18,130 --> 00:00:19,140 proteinvis has been developed at 8 00:00:19,150 --> 00:00:23,160 Visualization and graphics lab, Indian institute of science Bangalore. 9 00:00:23,160 --> 00:00:27,170 The space-fill model is a common representation of primary structure of molecules 10 00:00:27,180 --> 00:00:29,190 where atoms are represented as spheres 11 00:00:29,200 --> 00:00:32,210 with radii set to their van-der-waals radius 12 00:00:32,220 --> 00:00:34,230 In our framework we first render a rectangular imposter 13 00:00:34,240 --> 00:00:37,250 that covers the sphere's rasterization 14 00:00:37,260 --> 00:00:40,270 Each raster fragment is then checked to see if it belongs to the sphere 15 00:00:40,280 --> 00:00:42,290 If it does not, it is discarded. 16 00:00:42,300 --> 00:00:45,320 The retained fragments are depth corrected and colored 17 00:00:45,330 --> 00:00:47,340 using accurate surface normals 18 00:00:47,350 --> 00:00:51,360 This allows accurate rendering of spheres at any resolution 19 00:00:54,370 --> 00:00:57,380 Here we render the GroEL/1AON molecule 20 00:00:57,390 --> 00:01:00,400 which consists of approximately 60,000 atoms 21 00:01:00,410--> 00:01:03,420 ProteinVis uses our framework for this purpose 22 00:01:03,430 --> 00:01:07,440 and achieves a framerate of about 55-60fps 23 00:01:07,450 --> 00:01:09,460 the details of the card are as shown 24 00:01:11,470 --> 00:01:15,480 The ball-stick model is another common representation of the primary structure of molecules 25 00:01:15,490 --> 00:01:18,500 where atoms are represented as uniformly sized spheres 26 00:01:18,510 --> 00:01:20,520 and bonds between them as cylinders 27 00:01:20,530 --> 00:01:22,540 similar to spherical imposter, 28 00:01:22,550 --> 00:01:25,560 The cylinders are first approximated by a bounding cuboid 29 00:01:25,570 --> 00:01:26,580 and the imposter's retained fragments 30 00:01:26,590 --> 00:01:29,600 are depth-corrected and colored with accurate normals 31 00:01:29,610 --> 00:01:33,000 The spheres are then rendered using the spherical imposter primitive. 32 00:01:34,030 --> 00:01:39,640 Proteins consist of a contiguous chain of amino acids referred to as the backbone 33 00:01:39,650 --> 00:01:42,660 They are commonly represented by sampling line segments from a spline curve 34 00:01:42,670 --> 00:01:44,680 passing through the alpha carbon atoms 35 00:01:44,690 --> 00:01:46,700 of each of the amnio acids 36 00:01:46,710 --> 00:01:48,690 The cylinder imposter method demonstrated earlier 37 00:01:48,700 --> 00:01:51,500 is used for each line segment to produce a tube like object 38 00:01:51,510 --> 00:01:56,000 The imposter is modified so that there are no gaps between continuous segments 39 00:01:56,010 --> 00:01:59,000 Surface normals are interpolated consistently across consecutive 40 00:01:59,010 --> 00:02:02,000 cylindrical segments to ensure smooth shading. 41 00:02:03,010 --> 00:02:07,500 Oftentimes, weak hydrogen bonds form across amino acids in the backbone chain of proteins 42 00:02:07,510 --> 00:02:12,000 leading to the formation of secondary structures such as alpha-helices and beta-sheets 43 00:02:13,000 --> 00:02:16,000 The alpha helix commonly exhibits high structural regularity 44 00:02:16,010 --> 00:02:20,200 with the helix executing a turn for every 3.6 amino acids in the backbone 45 00:02:20,210 --> 00:02:22,210 and a pitch of 5.4 angstroms 46 00:02:22,500 --> 00:02:26,000 Also, the coiling is regular across a standard axis 47 00:02:26,010 --> 00:02:27,500 We levrage on this regularity, 48 00:02:27,510 --> 00:02:30,500 to fit a cylindrical imposter across this axis 49 00:02:30,510 --> 00:02:33,500 that is appropriately culled to reveal the helical structure. 50 00:02:34,700 --> 00:02:37,000 In conclusion, we have presented our framework 51 00:02:37,010 --> 00:02:39,200 to accelerate the renderings of large molecules 52 00:02:39,210 --> 00:02:44,000 by augmenting the OpenGL pipeline with spherical, cylindrical and helical elements. 53 00:02:44,010 --> 00:02:47,000 We applied our method to accelerate various representations 54 00:02:47,010 --> 00:02:49,000 of primary and secondary protein structures 55 00:02:49,010 --> 00:02:52,500 such as the space fill, ball stick, backbone loop and alpha-helices. 56 00:02:52,510 --> 00:02:55,200 By using fewer primitives to represent the structure, 57 00:02:55,210 --> 00:02:59,700 we utilize lesser graphics memory and can scale our frame work to large biomolecules 58 00:02:59,710 --> 00:03:02,500 while maintaining high quality and interactive framerates 59 00:03:03,200 --> 00:03:08,000 we conclude the video by giving a quantitative comparision of pymol against proteinVis 60 00:03:08,010 --> 00:03:12,200 The specs of the molecule and the card are as listed.