Machné Rainer, Finney Andrew, Müller Stefan, Lu James, Widder Stefanie, Flamm Christoph
Institute for Theoretical Chemistry, University of Vienna, 1090 Vienna, Austria.
Bioinformatics. 2006 Jun 1;22(11):1406-7. doi: 10.1093/bioinformatics/btl086. Epub 2006 Mar 9.
The SBML ODE Solver Library (SOSlib) is a programming library for symbolic and numerical analysis of chemical reaction network models encoded in the Systems Biology Markup Language (SBML). It is written in ISO C and distributed under the open source LGPL license. The package employs libSBML structures for formula representation and associated functions to construct a system of ordinary differential equations, their Jacobian matrix and other derivatives. SUNDIALS' CVODES is incorporated for numerical integration and sensitivity analysis. Preliminary benchmarking results give a rough overview on the behavior of different tools and are discussed in the Supplementary Material. The native application program interface provides fine-grained interfaces to all internal data structures, symbolic operations and numerical routines, enabling the construction of very efficient analytic applications and hybrid or multi-scale solvers with interfaces to SBML and non SBML data sources. Optional modules based on XMGrace and Graphviz allow quick inspection of structure and dynamics.
SBML常微分方程求解器库(SOSlib)是一个用于对用系统生物学标记语言(SBML)编码的化学反应网络模型进行符号和数值分析的编程库。它用ISO C编写,并在开源LGPL许可下分发。该软件包采用libSBML结构进行公式表示,并使用相关函数来构建常微分方程组、其雅可比矩阵和其他导数。集成了SUNDIALS的CVODES用于数值积分和灵敏度分析。初步的基准测试结果对不同工具的性能给出了大致概述,并在补充材料中进行了讨论。原生应用程序接口为所有内部数据结构、符号运算和数值例程提供了细粒度接口,能够构建非常高效的分析应用程序以及与SBML和非SBML数据源有接口的混合或多尺度求解器。基于XMGrace和Graphviz的可选模块允许快速检查结构和动力学。