SGXPro: a parallel workflow engine enabling optimization of program performance and automation of structure determination
✍ Scribed by Fu, Zheng-Qing ;Rose, John ;Wang, Bi-Cheng
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 690 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0907-4449
No coin nor oath required. For personal study only.
✦ Synopsis
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.