NMRPIPE - A MULTIDIMENSIONAL SPECTRAL PROCESSING SYSTEM BASED ON UNIX PIPES
NMRPIPE - A MULTIDIMENSIONAL SPECTRAL PROCESSING SYSTEM BASED ON UNIX PIPES
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DOI：
10.1007/bf00197809
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发表时间：
1995-11-01
影响因子：
2.7
通讯作者：
BAX, A
中科院分区：
文献类型：
--
作者：
DELAGLIO, F;GRZESIEK, S;BAX, A
NMRPipe系统是一个处理、图形和分析工具的UNIX软件环境，旨在满足当前的常规和面向研究的多维处理需求，并预测和适应未来的需求和发展。该系统基于UNIX管道，它允许程序在用户控制下同时运行以交换数据流。在NMRPipe处理方案中，频谱数据流流经一系列处理程序，每个程序执行整个方案的一个组成部分，例如傅里叶变换或线性预测。完整的多维处理方案被构造为简单的UNIX shell脚本。处理模块本身维护和利用所有维度的数据大小，检测模式和校准信息的准确记录，因此可以构建方案，而无需在处理过程中明确定义或预测数据大小或真实和虚构通道的存储细节。异步管道方案还提供了其他重要的优势，包括高灵活性、有利的处理速度、全内存和磁盘绑定处理的选择、易于适应不同的数据格式、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。
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.