OPPF1314 data were used both for testing the data processing and analysis pipelineĪnd for the automated model-building procedures. These were OPPF1314 (Oxford) and SiaP (York). Targets for the subsequent application of the ARP/ wARP packages of automated electron-density interpretation.ĭuring the workshop two structures were examined in greater detail to pinpoint problems Most were candidates for MR and were straightforward Not part of a complex, contain no signal peptides and have no transmembrane regions. The basic selection parameters were that target proteins should be less than 50 kDa, MAD, multiple-wavelength anomalous dispersion. SAD, single-wavelength anomalous dispersion. N Mol is the expected number of molecules in the asymmetric unit. N Res is the number of residues per molecule. The aim of the workshop was toĪssess progress towards this within the SPINE team and its associates. Which can be easily upgraded in the years to come. Which can be hard to establish, but will result in more robust and flexible software This requires agreement on exchange protocols, Project, Num) approach of linking contributions from a number of sources to form a set of modular tools. The SPINE project has tried to follow the traditional CCP4 (Collaborative Computational Targets, as these will be published elsewhere. Not describe in detail the software being developed or the structures of the individual Summarizes the activities at a third workshop where the current methodology was testedĪgainst targets selected from SPINE partner laboratories in Oxford and York. Early in the programme SPINE held two workshops to discuss automation,Īttended by people both within the project and from associated groups. It is clear that contacts and coordinationĪre essential to optimize the output of developers and that such contacts must be This problem is being addressed worldwide. Hence, SPINE had only limited resources to contribute to the development of high-throughputĬrystallographic computing, but by bringing together major users and providers ofĬode it was in a good position to gain access and provide some input to developments. Within the SPINE project, most of the resources were devoted to major bottlenecksįor structural biology, namely in protein cloning, overexpression and crystallization. The software will ensure that high quality will accompany Molecular replacement (MR), experimental phasing, automated generation of atomic models, molecular graphicsĪnd quality assessment. The various stages, and better algorithms will be formulated in key areas such as Including several SPINE partners, is directly addressing this. (MX) procedures must be streamlined, and work in a number of laboratories in Europe, Throughput in keeping with genome sequencing projects, macromolecular crystallography Experimental results on the reference datasets show that the search speed can be increased by 48 times compared to E2LSH, while keeping high search precision.To address the problems of automated X-ray analysis of macromolecules. Given a query, we first determine a few clusters that it belongs to with high probability, and then perform ANN search in the corresponding LSH tables. In the second level, we construct LSH tables for each cluster. In the first level, we first train a number of cluster centers, then use the cluster centers to divide the dataset into many clusters and the vectors in each cluster has near uniform distribution. In this paper, we propose a new data-dependent LSH algorithm, which has two-level structures to perform ANN search in high dimensional. ![]() As LSH partitions vector space uniformly and the distribution of vectors is usually non-uniform, it poorly fits real dataset and has limited performance. Locality sensitive hashing (LSH) is the most popular algorithm for approximate nearest neighbor (ANN) search.
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