Accelrys刚刚发布Discovery Studio Modeling 1.1，最新加入了X-ray晶体学工具，它将QUANTA软件包中的晶体学建模工具和InsightII中的三维图形环境集成在一起，可以在微机上存储与管理来自X-ray、质谱的实验数据。同时增加了应用于功能基因组研究的产品DS GeneAtlas和DS AtlasStore。在1.1版本中增加的功能模块有：·DS HT-XPIPE: Complete structure determination of protein-ligand complexes with automated protocols for phasing by molecular replacement, structure refinement, ligand fitting, and solvent placement.·DS XBUILD: Highly interactive module for fitting protein structures into electron density maps incorporates various algorithms for model building, loop fitting, and real-space refinement.·DS XLIGAND: Semi-automated ligand fitting in electron density maps with intuitive tools and applications accessible though the pull-down menus, toolbars, and shortcuts.·DS CNX X-ray: Based on the widely used X-PLOR and CNS, this module provides a flexible, easy-to-use interface to the powerful protocols used for structure refinement, map calculation, water placement and structure validation using experimental X-ray data derived from crystal diffraction.·DS GeneAtlas: A powerful set of querying and analysis tools for identifying biochemical function from protein sequences, now has a user-friendly, graphical client interface on Windows to run its automated protein annotation pipeline. New experimental wizards guide users through experimental setup.·DS AtlasStore: A proteomic database that incorporates data-mining and visualization of functional annotation data from genomic data now contains connections to many types of experimental information including X-ray data and parameters along with auto-updates of 3D protein structure data from the RCSB Protein Data Bank. Its flexible query interface lets scientists search using chemistry, biology, and experimental information.　　DS MSSearch: Brand new functionality that incorporates experimental data as part of the functional analysis of proteomic sequences. DS MSSearch takes the output from mass spectrometry experiments and uses the information for database searching, yielding a much richer annotation for uncovering the function of experimentally identified protein targets.