SGXPro: a parallel workflow engine enabling optimization of program performance and automation of structure determination.
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.
Fu
Zheng Qing
ZQ
Southeast Collaboratory for Structural Genomics, Department of Biochemistry and Molecular Biology, The University Of Georgia, Athens, GA 30602, USA. fuzq@uga.edu
Rose
John
J
Wang
Bi Cheng
BC
D018360:Crystallography, X-Ray / Q000379:methods*; D050956:HSP40 Heat-Shock Proteins; D006360:Heat-Shock Proteins / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D012984:Software; D014584:User-Computer Interface
D050956:HSP40 Heat-Shock Proteins; D006360:Heat-Shock Proteins; D011506:Proteins