{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T05:54:31Z","timestamp":1760853271300,"version":"3.38.0"},"reference-count":14,"publisher":"SAGE Publications","issue":"1","license":[{"start":{"date-parts":[[1993,3,1]],"date-time":"1993-03-01T00:00:00Z","timestamp":730944000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.sagepub.com\/page\/policies\/text-and-data-mining-license"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["The International Journal of Supercomputing Applications"],"published-print":{"date-parts":[[1993,3]]},"abstract":"<jats:p> Direct methods are commonly used by crystallogra phers to determine relatively small crystal structures. However, existing techniques do not appear to be ex tensible to larger structures. The recent development of a solution strategy called Shake-and-Bake, aimed at determining structures via local minimization and re peated Fourier transformations, allows for implicit con straints to be included. In this article, a description of the Shake-and-Bake algorithm is given, along with a detailed description of master\/slave MIMD implemen tations on a network of Sun workstations, an Intel iPSC\/860 Hypercube, and a Connection Machine CM-5. Our experimental results on known structures, includ ing gramicidin A, are extremely encouraging. For ex ample, based on efficient implementations of Shake- and-Bake on the iPSC\/860 and CM-5, for known struc tures of 28, 84, and 127 nonhydrogen atoms, we obtain success rates of 19%, 1%, and 0.2%, as opposed to existing methods, which yield success rates of ap proximately 6%, 0.006%, and 0.0002%, respectively. <\/jats:p>","DOI":"10.1177\/109434209300700103","type":"journal-article","created":{"date-parts":[[2007,3,5]],"date-time":"2007-03-05T01:17:47Z","timestamp":1173057467000},"page":"25-49","source":"Crossref","is-referenced-by-count":4,"title":["Using Parallel Computers To Solve the Phase Problem of X-Ray Crystallography"],"prefix":"10.1177","volume":"7","author":[{"given":"C.-S.","family":"Chang","sequence":"first","affiliation":[{"name":"DEPARTMENT OF COMPUTER SCIENCE UNIVERSITY AT BUFFALO\rBUFFALO, NEW YORK 14260 MEDICAL FOUNDATION OF BUFFALO 73 HIGH STREET BUFFALO,\rNEW YORK 14203"}]},{"given":"G.","family":"DeTitta","sequence":"additional","affiliation":[{"name":"DEPARTMENT OF COMPUTER SCIENCE UNIVERSITY AT BUFFALO\rBUFFALO, NEW YORK 14260 MEDICAL FOUNDATION OF BUFFALO 73 HIGH STREET BUFFALO,\rNEW YORK 14203"}]},{"given":"H.","family":"Hauptman","sequence":"additional","affiliation":[{"name":"DEPARTMENT OF COMPUTER SCIENCE UNIVERSITY AT BUFFALO\rBUFFALO, NEW YORK 14260 MEDICAL FOUNDATION OF BUFFALO 73 HIGH STREET BUFFALO,\rNEW YORK 14203"}]},{"given":"R.","family":"Miller","sequence":"additional","affiliation":[{"name":"DEPARTMENT OF COMPUTER SCIENCE UNIVERSITY AT BUFFALO\rBUFFALO, NEW YORK 14260 MEDICAL FOUNDATION OF BUFFALO 73 HIGH STREET BUFFALO,\rNEW YORK 14203"}]},{"given":"P.","family":"Thuman","sequence":"additional","affiliation":[{"name":"DEPARTMENT OF COMPUTER SCIENCE UNIVERSITY AT BUFFALO\rBUFFALO, NEW YORK 14260 MEDICAL FOUNDATION OF BUFFALO 73 HIGH STREET BUFFALO,\rNEW YORK 14203"}]},{"given":"C.","family":"Weeks","sequence":"additional","affiliation":[{"name":"DEPARTMENT OF COMPUTER SCIENCE UNIVERSITY AT BUFFALO\rBUFFALO, NEW YORK 14260 MEDICAL FOUNDATION OF BUFFALO 73 HIGH STREET BUFFALO,\rNEW YORK 14203"}]}],"member":"179","published-online":{"date-parts":[[1993,3,1]]},"reference":[{"volume-title":"In Proceedings of the Fifth Distributed Memory Computing Conference","author":"Bashir, N.","key":"atypb1"},{"volume-title":"In Proceedings of the Fifth Distributed Memory Computing Conference","author":"Dahl, E.D.","key":"atypb2"},{"volume-title":"Crystal structure analysis: a primer","year":"1985","author":"Glusker, J.P.","key":"atypb3"},{"key":"atypb4","doi-asserted-by":"publisher","DOI":"10.1063\/1.881207"},{"volume-title":"Crystallographic computing 5: from chemistry to biology, papers presented at the International School of Crystallographic Computing","author":"Hauptman, H.A.","key":"atypb5"},{"key":"atypb6","doi-asserted-by":"publisher","DOI":"10.1126\/science.2455345"},{"key":"atypb7","doi-asserted-by":"publisher","DOI":"10.1002\/bip.1980.360190808"},{"key":"atypb8","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360320710"},{"volume-title":"X-ray structure determination: a practical guide","year":"1989","author":"Stout, G.H.","key":"atypb9"},{"volume-title":"Connection Machine Model CM-2 technical summary, version 5","year":"1989","key":"atypb10"},{"volume-title":"Connection Machine CM-200 Series technical summary","year":"1991","author":"Thinking Machines Corporation.","key":"atypb11"},{"volume-title":"The Connection Machine CM-5 technical summary","year":"1991","author":"Thinking Machines Corporation.","key":"atypb12"},{"volume-title":"CMSSL Release Notes, version 3.0 beta edition","year":"1992","author":"Thinking Machines Corporation.","key":"atypb13"},{"key":"atypb14","doi-asserted-by":"publisher","DOI":"10.1107\/S0567740876002720"}],"container-title":["The International Journal of Supercomputing Applications"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/journals.sagepub.com\/doi\/pdf\/10.1177\/109434209300700103","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.sagepub.com\/doi\/pdf\/10.1177\/109434209300700103","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,3,4]],"date-time":"2025-03-04T19:17:30Z","timestamp":1741115850000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.sagepub.com\/doi\/10.1177\/109434209300700103"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[1993,3]]},"references-count":14,"journal-issue":{"issue":"1","published-print":{"date-parts":[[1993,3]]}},"alternative-id":["10.1177\/109434209300700103"],"URL":"https:\/\/doi.org\/10.1177\/109434209300700103","relation":{},"ISSN":["0890-2720"],"issn-type":[{"type":"print","value":"0890-2720"}],"subject":[],"published":{"date-parts":[[1993,3]]}}}