do_x3dna：一种用于通过分子动力学模拟分析双链DNA或双链RNA结构波动的工具。
do_x3dna: a tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations.
作者信息
Kumar Rajendra, Grubmüller Helmut
机构信息
Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Göttingen 37077, Germany.
出版信息
Bioinformatics. 2015 Aug 1;31(15):2583-5. doi: 10.1093/bioinformatics/btv190. Epub 2015 Apr 2.
The do_x3dna package has been developed to analyze the structural fluctuations of DNA or RNA during molecular dynamics simulations. It extends the capability of the 3DNA package to GROMACS MD trajectories and includes new methods to calculate the global-helical axis of DNA and bending fluctuations during simulations. The package also includes a Python module dnaMD to perform and visualize statistical analyses of complex data obtained from the trajectories.
do_x3dna软件包已被开发用于分析分子动力学模拟过程中DNA或RNA的结构波动。它将3DNA软件包的功能扩展到GROMACS分子动力学轨迹，并包括在模拟过程中计算DNA全局螺旋轴和弯曲波动的新方法。该软件包还包括一个Python模块dnaMD，用于对从轨迹中获得的复杂数据进行统计分析和可视化。
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