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PubMed · 15983418

SGXPro: a parallel workflow engine enabling optimization of program performance and automation of structure determination.

Zheng Qing Fu·John Rose·Bi Cheng Wang
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Abstract

SGXPro consists of four components. (i) A parallel workflow engine that was designed to automatically manage communication between the different processes and build systematic searches of algorithm/program/parameter space to generate the best possible result for a given data set. This is performed by offering the user a palette of programs and techniques commonly used in X-ray structure determination in an environment that lets the user choose programs in a mix-and-match manner, without worrying about inter-program communication and file formats, during the structure-determination process. The current SGXPro program palette includes 3DSCALE, SHELXD, ISAS, SOLVE/RESOLVE, DM, SOLOMON, DMMULTI, BLAST, AMoRe, EPMR, XTALVIEW, ARP/wARP and MAID. (ii) A client/server architecture that allows the user to utilize the best computing facility available. (iii) Plug-in-and-play design, which allows easily integration of new programs into the system. (iv) User-friendly interface.

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Crystallography, X-RayHSP40 Heat-Shock ProteinsHeat-Shock ProteinsProteinsSoftwareUser-Computer InterfaceJournal ArticleResearch Support, N.I.H., ExtramuralResearch Support, Non-U.S. Gov'tResearch Support, U.S. Gov't, P.H.S.

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Zheng Qing Fu, John Rose, Bi Cheng Wang. 2005-06-24. SGXPro: a parallel workflow engine enabling optimization of program performance and automation of structure determination.. https://doi.org/10.1107/s0907444905010541

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