Walsh Thomas P, Webber Caleb, Searle Stephen, Sturrock Shane S, Barton Geoffrey J
College of Life Sciences, University of Dundee, Dundee, UK.
Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W25-9. doi: 10.1093/nar/gkn320. Epub 2008 May 24.
SCANPS performs iterative profile searching similar to PSI-BLAST but with full dynamic programing on each cycle and on-the-fly estimation of significance. This combination gives good sensitivity and selectivity that outperforms PSI-BLAST in domain-searching benchmarks. Although computationally expensive, SCANPS exploits onchip parallelism (MMX and SSE2 instructions on Intel chips) as well as MPI parallelism to give acceptable turnround times even for large databases. A web server developed to run SCANPS searches is now available at http://www.compbio.dundee.ac.uk/www-scanps. The server interface allows a range of different protein sequence databases to be searched including the SCOP database of protein domains. The server provides the user with regularly updated versions of the main protein sequence databases and is backed up by significant computing resources which ensure that searches are performed rapidly. For SCOP searches, the results may be viewed in a new tree-based representation that reflects the structure of the SCOP hierarchy; this aids the user in placing each hit in the context of its SCOP classification and understanding its relationship to other domains in SCOP.
SCANPS执行类似于PSI-BLAST的迭代轮廓搜索,但在每个循环中使用完全动态规划并实时估计显著性。这种组合具有良好的灵敏度和选择性,在结构域搜索基准测试中优于PSI-BLAST。尽管计算成本高昂,但SCANPS利用片上并行性(英特尔芯片上的MMX和SSE2指令)以及MPI并行性,即使对于大型数据库也能给出可接受的周转时间。现在可以通过http://www.compbio.dundee.ac.uk/www-scanps访问为运行SCANPS搜索而开发的网络服务器。服务器界面允许搜索一系列不同的蛋白质序列数据库,包括蛋白质结构域的SCOP数据库。服务器为用户提供主要蛋白质序列数据库的定期更新版本,并由大量计算资源支持,以确保快速执行搜索。对于SCOP搜索,可以以一种新的基于树的表示形式查看结果,该表示形式反映了SCOP层次结构的结构;这有助于用户将每个匹配项置于其SCOP分类的背景下,并理解其与SCOP中其他结构域的关系。