SIMGLYCANTOOL SUITE

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 SimGlycan是一个商业软件，用于解释葡聚糖质谱学数据(http://www.premierbiosoft.com/glycan/index.html).该程序为质谱学数据的注释和探索提供了方便的方法。在与Premier Biosoft开发商的合作下，我们正在努力扩展这一项目，用于高通量糖组分分析。结构分配完成后，SimGlycan产品不支持对这些结果的便捷探索。我们正在开发一套基于SimGlycan结果文件的工具，该工具将支持显示和探索高通量、基于质谱学的糖组分产生的大量数据。这些工具将：(1)将现有输出文件转换为更直观和可读的格式，(2)使用对评估注释至关重要的新参数扩展现有输出文件，(3)比较几个样本的结果，以及(4)基于Glyco中高度精选的结构创建定制的SimGlycan结构数据库。(见SPID 0142)。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. SimGlycan is a commercial software for the interpretation of glycan mass spectrometric data (http://www.premierbiosoft.com/glycan/index.html). The program provides convenient methods for annotation and exploration of mass spectral data. In cooperation with Premier Biosoft developers, we are working on extending this program for high-throughput glycomics analysis. After structural assignment is completed, the SimGlycan product does not support facile exploration of these results. We are developing a suite of tools based on SimGlycan result files that will support the display and exploration of large amount of data generated by high-throughput, mass spectrometry-based glycomics. These tools will: (1) convert the existing output files into a more intuitive and readable format, (2) extend the existing output files with new parameters that are critical to evaluate the annotation, (3) compare the result of several samples, and (4) create a customized SimGlycan structure database based on highly curated structures in GlycO. (See SPID 0142).