Bioclipse: an open source workbench for chemo- and bioinformatics

被引:81
作者
Spjuth, Ola [1 ]
Helmus, Tobias
Willighagen, Egon L.
Kuhn, Stefan
Eklund, Martin
Wagener, Johannes
Murray-Rust, Peter
Steinbeck, Christoph
Wikberg, Jarl E. S.
机构
[1] Uppsala Univ, Dept Pharmaceut Biosci, Uppsala, Sweden
[2] Univ Cologne, Bioinformat Ctr, Cologne, Germany
[3] Univ Cambridge, Dept Chem, Unilever Ctr Mol Informat, Cambridge CB2 1EW, England
来源
BMC BIOINFORMATICS | 2007年 / 8卷
关键词
SOURCE [!text type='JAVA']JAVA[!/text] LIBRARY; DEVELOPMENT KIT CDK; CHEMICAL MARKUP; WEB SERVICES; SOFTWARE; STRAP; XML;
D O I
10.1186/1471-2105-8-59
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Background: There is a need for software applications that provide users with a complete and extensible toolkit for chemo- and bioinformatics accessible from a single workbench. Commercial packages are expensive and closed source, hence they do not allow end users to modify algorithms and add custom functionality. Existing open source projects are more focused on providing a framework for integrating existing, separately installed bioinformatics packages, rather than providing user-friendly interfaces. No open source chemoinformatics workbench has previously been published, and no sucessful attempts have been made to integrate chemo- and bioinformatics into a single framework. Results: Bioclipse is an advanced workbench for resources in chemo- and bioinformatics, such as molecules, proteins, sequences, spectra, and scripts. It provides 2D-editing, 3D-visualization, file format conversion, calculation of chemical properties, and much more; all fully integrated into a user-friendly desktop application. Editing supports standard functions such as cut and paste, drag and drop, and undo/redo. Bioclipse is written in Java and based on the Eclipse Rich Client Platform with a state-of-the-art plugin architecture. This gives Bioclipse an advantage over other systems as it can easily be extended with functionality in any desired direction. Conclusion: Bioclipse is a powerful workbench for bio- and chemoinformatics as well as an advanced integration platform. The rich functionality, intuitive user interface, and powerful plugin architecture make Bioclipse the most advanced and user-friendly open source workbench for chemo- and bioinformatics. Bioclipse is released under Eclipse Public License (EPL), an open source license which sets no constraints on external plugin licensing; it is totally open for both open source plugins as well as commercial ones. Bioclipse is freely available at http://www.bioclipse.net.
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页数:10
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