Delaglio F, Grzesiek S, Vuister G W, Zhu G, Pfeifer J, Bax A
Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, MD 20892, USA.
J Biomol NMR. 1995 Nov;6(3):277-93. doi: 10.1007/BF00197809.
The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks.
NMRPipe系统是一个UNIX软件环境，包含处理、图形和分析工具，旨在满足当前常规和面向研究的多维处理需求，并预见和适应未来的需求与发展。该系统基于UNIX管道，允许同时运行的程序在用户控制下交换数据流。在NMRPipe处理方案中，光谱数据流流经一系列处理程序，每个程序执行整体方案的一个组件，如傅里叶变换或线性预测。完整的多维处理方案被构建为简单的UNIX shell脚本。处理模块本身维护并利用所有维度中数据大小、检测模式和校准信息的准确记录，因此在处理过程中无需明确定义或预见数据大小或实部和虚部通道的存储细节即可构建方案。异步管道方案还提供了其他显著优势，包括高度灵活性、良好的处理速度、内存处理和磁盘处理的选择、易于适应不同数据格式、更简单的软件开发和维护，以及在多CPU计算机和计算机网络上分配处理任务的能力。
