{"id":3424,"date":"2011-04-01T13:21:24","date_gmt":"2011-04-01T13:21:24","guid":{"rendered":"http:\/\/hgpu.org\/?p=3424"},"modified":"2011-04-01T13:21:24","modified_gmt":"2011-04-01T13:21:24","slug":"poster-gpu-accelerated-rigid-body-fitting-of-atomic-structures-into-electron-density-maps","status":"publish","type":"post","link":"https:\/\/hgpu.org\/?p=3424","title":{"rendered":"Poster: GPU-accelerated rigid body fitting of atomic structures into electron density maps"},"content":{"rendered":"<p>Three initial fits of 1ubi in a 6.6A resolution synthesized density map had backbone RMSDs to the correct placement of 2.7, 2.9 and 6.6A. They have been refined with a Powell optimizer [5] in 10 iterations using 6 directions, 3 rotations a, beta with 0.15 radians and gamma with 0.075 radians starting direction to cover the entire euler sphere and translation with 1.1A search directions in x, y and z. Each line search was terminated after 10 iterations or if dCCC lg 0.001. TABLE I. summarizes timings on CPU and 4 different GPU architectures in double floating point precision.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Three initial fits of 1ubi in a 6.6A resolution synthesized density map had backbone RMSDs to the correct placement of 2.7, 2.9 and 6.6A. They have been refined with a Powell optimizer [5] in 10 iterations using 6 directions, 3 rotations a, beta with 0.15 radians and gamma with 0.075 radians starting direction to cover [&hellip;]<\/p>\n","protected":false},"author":351,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_publicize_message":"","jetpack_publicize_feature_enabled":true,"jetpack_social_post_already_shared":false,"jetpack_social_options":{"image_generator_settings":{"template":"highway","default_image_id":0,"font":"","enabled":false},"version":2}},"categories":[10,90,3],"tags":[7,645,1781,702,264,20,953,1793,176,958,199,378],"class_list":["post-3424","post","type-post","status-publish","format-standard","hentry","category-biology","category-opencl","category-paper","tag-ati","tag-ati-radeon-hd-5970","tag-biology","tag-cryo-em","tag-molecular-modeling","tag-nvidia","tag-nvidia-geforce-gtx-470","tag-opencl","tag-package","tag-poster","tag-tesla-c1060","tag-tesla-c2050"],"views":2359,"jetpack_publicize_connections":[],"jetpack_featured_media_url":"","jetpack_sharing_enabled":true,"_links":{"self":[{"href":"https:\/\/hgpu.org\/index.php?rest_route=\/wp\/v2\/posts\/3424","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/hgpu.org\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/hgpu.org\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/hgpu.org\/index.php?rest_route=\/wp\/v2\/users\/351"}],"replies":[{"embeddable":true,"href":"https:\/\/hgpu.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=3424"}],"version-history":[{"count":0,"href":"https:\/\/hgpu.org\/index.php?rest_route=\/wp\/v2\/posts\/3424\/revisions"}],"wp:attachment":[{"href":"https:\/\/hgpu.org\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=3424"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/hgpu.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=3424"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/hgpu.org\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=3424"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}