Agilent Technologies said that an upgraded version of its Spectrum Mill protein identification software will be available this month. New features include support for the International Protein Index protein database; identification of additional amino acid modifications; support for peptide mass fingerprinting data; and integration with Agilent’s Synapsia informatics workbench.
Thomson ISI ResearchSoft has released RefViz for Mac OS X. The text analysis and visualization software was developed with OmniViz, and is available for an introductory price of $149.95 until May 31.
IBM’s AlphaWorks group has released BioWBI (Bioinformatics Workflow Builder Interface), a web-based environment for building bioinformatics workflows. The package is available at http://www.alphaworks.ibm.com/tech/biowbi.
Chemical Computing Group has released MOE (Molecular Operating Environment) 2004.03, which includes new tools for bioinformatics, cheminformatics, high-throughput discovery, protein modeling, and structure-based design.
InforSense has launched InforSense 1.9: ChemScience, a new application module for integrating cheminformatics data within the company’s Knowledge Discovery Environment.
Accelrys has released Accord Chemistry Software Development Kit 6.0. Enhancements to the programmers’ toolkit for chemical data management applications include improved stereochemistry representation, advanced chemical fingerprinting methods, custom property matching, and other new features. The company also released TOPKAT 6.2, an upgraded version of its software for predicting the toxicity of potential drug compounds.
SciTegic has released Pipeline Pilot 4.0, which includes a WSDL browser for integration with external web services, an upgraded OBDC driver, and new Java and Perl libraries for component development and integration with third-party tools.
Version 43.0 of SwissProt is now available at http://www.ebi.ac.uk/sprot/. The release contains 146,720 fully annotated sequences and 54,093,154 amino acids.
Biobase has released Transpath-NetPro, a curated database of molecular regulation mechanisms in human and mammalian cells. The database was developed in collaboration with Molecular Connections, and contains information on 45,000 validated protein-protein-interactions from more than 16,000 publications.
COOT (the Crystallographic Object-Oriented Toolkit) is available from the University of York at http://www.ysbl.york.ac.uk/~emsley/coot. The toolkit, part of the CCP4 Molecular Graphics Project, displays maps and models for crystallographic data.