PPT-Computing Delaunay Refinement Using the GPU

Feb 26 2017 Zhenghai CHEN Meng QI and Tiow Seng TAN 1 Outline Introduction Literature Review Our Algorithm gQM Proof of Termination Experiment Results 2 Introduction Delaunay refinement problem. to . Greedy Routing Algorithms . in Ad-Hoc Networks. ○. Truong . Minh . Tien. Joint work with. Jinhee. . Chun, . Akiyoshi. . Shioura. , . and Takeshi . Tokuyama. Tohoku University. Japan. Our . Problem. Maximize agreement with diffraction data. Minimize R-factor. Maximize ideality of stereochemistry. Minimize deviation from ideal bond lengths and angles. S. |F. obs. -F. calc. |. S. |F. obs. |. hkl. hkl. Michael Butler. University of Southampton. users.ecs.soton.ac.uk/mjb. Motivation. In a refinement based approach it is beneficial to model systems . abstractly . with . little architectural structure . We cannot complete that refinement due to a little problem: in order to get the new values and , we need not only the values of and just produced by the recursive call, , which was not sav Prof. Andy Mirzaian. Voronoi Diagrams. &. Delaunay Triangulations. Voronoi Diagram & Delaunay Triangualtion. . Algorithms . Divide-&-Conquer. Plane Sweep. Lifting into d+1 dimensions. 2011-09-14. Four levels of programmers. Implementation. know the language well, translate idea to programs. Algorithms. Design good solutions. Software engineering. manage different components and people. Maximize agreement with diffraction data. Minimize R-factor. Maximize ideality of stereochemistry. Minimize deviation from ideal bond lengths and angles. S. |F. obs. -F. calc. |. S. |F. obs. |. hkl. hkl. Inference. Hiroshi Unno (University of Tsukuba). Joint work with: Naoki Kobayashi, . Tachio. Terauchi, . Ryosuke. Sato, Takuya . Kuwahara. , . Kodai. Hashimoto, . Sho. Torii. 2015/7/4. HOPA 2015. CS 268 @ Gates 219. October 17, 3:00 – 4:20. Richard Zhang. (for Leo G.). 1. Disclaimer: All figures in the slides are for illustration only. Best approximations were attempted, but preciseness or c. procedure for . native structure. phenix.refine. . yourcoords.pdb. . m230d_2017_scaled.mtz . refinement.input.xray_data.labels. =". FP_native-cris. . SIGFP_native-cris. “ . output.prefix. =. nativeround1. אנה גלייזר 19.12.11. על מה נדבר היום. :. טריאנגולציות . DELAUNAY . טריאנגולציות מיוחדות:. טריאנגולציה ממשקל מינימלי – . MWT. CS 268 @ Gates 219. October 19, 3:00 – 4:20. Richard Zhang. (for Leo G.). 1. Disclaimer: All figures in the slides are for illustration only. Best approximations were attempted, but preciseness or correctness of the geometric constructions should not be assumed.. Chrissie Waddington. Harry . Moyse. Mesh Generation. Creating a 3d . polyogonal. shape from data. E.g. :. protein structure from microscope. Fancy 3d graphs. Computer games. To generate a simple mesh grid in MATLAB. Fig S2yLi EuA-DRietveld refinement of the SXRD patterns of Na099-xxAl1-xSi1xO4yLi 001EuNASO yLi Eu 0 y 015 samplesTable S1 Main parameters of processing and refinement of the NxASO 0 x 025 and NxASO