High-Performance Computing at the NIH

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NMRPipe
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Description

NMRPipe is an extensive software system for processing, analyzing, and exploiting NMR spectroscopic data. An NMRPipe installation also provides such facilities as NMRDraw, NMRWish, TALOS+, DYNAMO, MFR, and ACME, described in more detail below.

NMRPipe is a UNIX-based system, and so it will require a familiarity of UNIX to install and use the software. This means that an NMRPipe user must be familiar with the UNIX command-line and environment, and know how to create and edit UNIX shell-scripts using a text editor.

NMRPipe was developed by Frank Delaglio in the lab of Ad Bax of NIDDK.

How to Use

This application requires an X-Windows connection.

NMRPipe requires users set their shell to csh and add a number of variables to their environment.

$ /bin/csh $ source /usr/local/NMRPipe/com/nmrInit.linux9.com $ source /usr/local/NMRPipe/dynamo/com/dynInit.com

Data conversion is done using the bruker command, and inspecting the time domain data is done with the nmrDraw command. These commands will bring up windows via X11.

Examples

Demonstration data is located in /usr/local/NMRPipe/data.

Documentation

The simplest way to find information is to type man nmrPipe at the prompt. Otherwise,