Lorenz Ronny, Bernhart Stephan H, Höner Zu Siederdissen Christian, Tafer Hakim, Flamm Christoph, Stadler Peter F, Hofacker Ivo L
Institute for Theoretical Chemistry and Structural Biology, University of Vienna, Währingerstraße 17/3, A-1090 Vienna, Austria.
Algorithms Mol Biol. 2011 Nov 24;6:26. doi: 10.1186/1748-7188-6-26.
Secondary structure forms an important intermediate level of description of nucleic acids that encapsulates the dominating part of the folding energy, is often well conserved in evolution, and is routinely used as a basis to explain experimental findings. Based on carefully measured thermodynamic parameters, exact dynamic programming algorithms can be used to compute ground states, base pairing probabilities, as well as thermodynamic properties.
The ViennaRNA Package has been a widely used compilation of RNA secondary structure related computer programs for nearly two decades. Major changes in the structure of the standard energy model, the Turner 2004 parameters, the pervasive use of multi-core CPUs, and an increasing number of algorithmic variants prompted a major technical overhaul of both the underlying RNAlib and the interactive user programs. New features include an expanded repertoire of tools to assess RNA-RNA interactions and restricted ensembles of structures, additional output information such as centroid structures and maximum expected accuracy structures derived from base pairing probabilities, or z-scores for locally stable secondary structures, and support for input in fasta format. Updates were implemented without compromising the computational efficiency of the core algorithms and ensuring compatibility with earlier versions.
The ViennaRNA Package 2.0, supporting concurrent computations via OpenMP, can be downloaded from http://www.tbi.univie.ac.at/RNA.
二级结构构成了核酸描述的一个重要中间层次,它囊括了折叠能量的主要部分,在进化过程中通常高度保守,并且经常被用作解释实验结果的基础。基于精确测量的热力学参数,可使用精确的动态规划算法来计算基态、碱基配对概率以及热力学性质。
近二十年来,维也纳RNA软件包一直是广泛使用的与RNA二级结构相关的计算机程序汇编。标准能量模型结构、特纳2004参数的重大变化、多核CPU的广泛使用以及算法变体数量的增加,促使对基础的RNAlib和交互式用户程序进行重大技术革新。新特性包括用于评估RNA - RNA相互作用和受限结构集合的工具库扩展、从碱基配对概率导出的质心结构和最大预期准确度结构等额外输出信息,或局部稳定二级结构的z分数,以及对fasta格式输入的支持。更新的实现没有损害核心算法的计算效率,并确保了与早期版本的兼容性。
支持通过OpenMP进行并发计算的维也纳RNA软件包2.0可从http://www.tbi.univie.ac.at/RNA下载。