13CFLUX2--high-performance software suite for (13)C-metabolic flux analysis.

13CFLUX2--high-performance software suite for (13)C-metabolic flux analysis.
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DOI:
10.1093/bioinformatics/bts646
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发表时间:
2013-01-01
期刊:
Bioinformatics (Oxford, England)
影响因子:
--
通讯作者:
Wiechert W
Wiechert W
中科院分区:
其他
文献类型:
--
作者:
Weitzel M;Nöh K;Dalman T;Niedenführ S;Stute B;Wiechert W

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摘要:基于13C的代谢通量分析(13C-MFA)是定量测定微生物体内代谢反应速率的最新方法。13CFLUX2包含用于组成灵活计算的13C-MFA工作流以设计和评估碳标记实验的所有工具。一种专门开发的XML语言FlosML、高效的数据结构和模拟算法实现了最大的性能和有效性。对多核CPU和计算群集的支持可实现可扩展的调查。13CFLUX2在通用性、灵活性和内置功能方面优于现有工具。由此,13CFLUX2为下一代高分辨率13C-MFA的大规模应用铺平了道路。可获得性和实现:13CFLUX2是用C++(国际标准化组织/国际电工委员会14882标准)实现的,带有在linux/unix下运行的JAVA和PYTHON插件。演示版本和二进制文件可在www.13cflux.net上获得。联系方式:info@13cflux.net或k.noeh@fz-juelich.de补充信息:补充数据可在BioInformation Online上获得。
Summary: 13C-based metabolic flux analysis (13C-MFA) is the state-of-the-art method to quantitatively determine in vivo metabolic reaction rates in microorganisms. 13CFLUX2 contains all tools for composing flexible computational 13C-MFA workflows to design and evaluate carbon labeling experiments. A specially developed XML language, FluxML, highly efficient data structures and simulation algorithms achieve a maximum of performance and effectiveness. Support of multicore CPUs, as well as compute clusters, enables scalable investigations. 13CFLUX2 outperforms existing tools in terms of universality, flexibility and built-in features. Therewith, 13CFLUX2 paves the way for next-generation high-resolution 13C-MFA applications on the large scale. Availability and implementation: 13CFLUX2 is implemented in C++ (ISO/IEC 14882 standard) with Java and Python add-ons to run under Linux/Unix. A demo version and binaries are available at www.13cflux.net. Contact: info@13cflux.net or k.noeh@fz-juelich.de Supplementary information: Supplementary data are available at Bioinformatics online.
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