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NMRdock

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Overview

NMRdock is a Docker container image for processing raw NMR time domain data into frequency domain spectra and analyzing the spectra. The image includes NMRPipe and NMRFAM-Sparky for processing and analysis, respectively. NMRdock can be installed on any operating system (OSX, Windows, or Linux) and has the full functionality of both NMRPipe and NMRFAM-Sparky. For guides on processing BioNMR data in NMRdock, please access our Walkthrough Section NMRdock

Quick Start Scripts

Below are quick start scripts for OSX, Linux, and Windows (For detailed Installation Instructions, please see the Installation Guides below). Click on your operating system to access the script. Right click and save the script as either macQS.sh,linuxQS.sh, or windowQS.bat.

OSX

Linux

Windows

The scripts will make sure that you have the necessary components installed; if not, it will tell you how to install them. If you have everything installed, the script will start NMRdock.

Installation Guides

OSX

Linux

Windows

Reporting Issues

To report any issues, request the addition of features, or suggestions; please submit an issue to the Github for the developers to respond.

Authors

Andrew Leith, Kyle East

Contact

For assistance, please contact lisilabnmr@gmail.com and specify NMRdock in the subject line.