NMRPipe Command. Provides a pop‑up window for executing individual nmrPipe processing functions on the current 1D slice. To perform processing, enter the name of an nmrPipe function on the given command line, along with any additional arguments; For instance, “ft ‑inv” would be the command for inverse Fourier transform. Install the F-Droid app to get notified about updates. It enables you to download and update them too. F-Droid respects your privacy. They don’t track you, or your device. We would like to thank them for providing their services in this way. The first word is the name of the program we want to run - nmrPipe, remaining words are options passed with the program. If you have nmrPipe already installed and your shell 'knows' where nmrPipe can be found in the file system, shell will try to run nmrPipe with the arguments that you provide.

Download NMRPipe, including all 5 files.
Reference: F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeiferand A. Bax: NMRPipe: a multidimensional spectral processing system basedon UNIX pipes. J. Biomol. NMR. 6, 277-293 (1995).
Make an experimental directory and move the files there. Thisrequires either the sudo command or login as the super user.
To move files into this new directory, go back to the directory youhave saved the files and then move the files.
Change permissions, and decompress the following files.
Install the necessary Ubuntu packages.
Install NMRPipe
Edit your ~/.bashrc file. (This assumes you’re using a bash shell by default)
Add the following to your bash shell script:
Reload your new shell script.

20160415 - Removed the LIBGL_DRIVERS_PATH environment variable from the bashrc file. This variable introduces problems with the proper loading of OpenGL libraries on the system.
20150415 - Initial post

Please do not hesitate to contact us with questions or requests for pulse sequences, tools, scripts, data and (spinevolution) input files that are used in our published work (even if not listed below). Below you will find a listing of some scripts and programs, typically designed to aid the analysis and processing of solid state NMR data. Please let us know if you find them useful, and especially if you encounter bugs or other issues. Note that much of our work and many of these resources rely on the freely available software packages listed further down.

Data and Materials

Chemical shifts of huntingtin N-terminal fragments in the fibrillar form – BMRB Entry #25146
Chemical shifts of cataract-related P23T gD crystallin as amorphous aggregates – BMRB Entry #27039
Chemical shifts of huntingtin exon1 fibrils (44 Gln residues) – BMRB Entry # 27045
Diagrams and information of homebuilt ultracentrifugal sample packing tools – available upon request

NMRPipe-related scripts

nmrPipe/nmrDraw configuration script

Some fairly trivial modifications to the nmrpipe initialization file allow nmrDraw/Pipe usage from a Bash shell. The modified file is available upon request.

Nmrpipe Sp

Adding/combining datasets

A convenient (?) gui for the adding together of identical datasets using the nmrPipe program addNMR: combiner.tcl

Automated external referencing based on adamantane chemical shifts – available upon request

CCPNMR Analysis Macros

A few simple macros for the CCPNMR Analysis program: propagate assignments, make intermediate peak (from split peaks).

Analysis of oriented ²H NMR data

The following two programs were written for analyzing ²H NMR spectra of specifically deuterated peptides in macroscopically aligned membrane systems, while in the lab of Roger Koeppe II. Please contact me if these could be of interest to you. While being designed for helical WALP (or gramicidin) peptides systems, both programs largely rely on PDB structure files for input, so should/might be applicable to non-ideal or non-helical structural motifs.

TrpFit – a program for matching tryptophan orientational constraints from the peptide backbone and indole geometry to deuterium NMR line shapes measured in aligned membrane systems.
GALA – a program for determining peptide tilt angles from Ala-CD₃ splittings measured in aligned membrane systems.

Below is an overview of various NMR-related programs, with some additional notes and links. Note the RSS links of various user groups, as these provide a convenient way to keep up with changes, news and useful questions and answers.

Sparky Assignment Software

Link: NMRFAM-Sparky (new!); UCSF Sparky Home Page (old)

User-groups, etc: New: Google Group ; Yahoo User Group (Ending 2019)

CCPNMR / Analysis Assignment Software

Link: CCPNMR SoftwareDownloads

User-groups, etc: mailing list, online documentation, ssnmr usage, ssnmr extensions

nmrPipe Processing Software

Link: NMRPipe Home Page

User-groups, etc: Yahoo User Group

SPINEVOLUTION NMR Simulation Program

Link: SPINEVOLUTION Home Page

User-groups, etc: Google User-group

Nmrpipe Download

SIMMOL & SIMPSON

Nmrpipe Nmr

Link: SIMMOL/SIMPSON Home Page