What is NMRPipe?
NMRPipe is a UNIX-based collection of programs and scripts for manipulating multidimensional Nuclear Magnetic Resonance (NMR) data. NMRPipe has its genesis as a spectral processing engine, and over the years has been augmented with a variety of facilities for spectral analysis and quantification, extraction of structural information from NMR data, and manipulation of molecular structures. The use of NMRPipe is noted in roughly 40% of all NMR structures accepted into the Protein Data Bank (PDB).
NMRPipe scripts are generally UNIX C-shell scripts, or TCL scripts which use NMRPipe's customized interpreter nmrWish
.
Some of NMRPipe's programs and scripts have interactive graphical interfaces, including NMRPipe's primary program for viewing
spectra nmrDraw
, scroll.tcl
for viewing strips from one or more 3D spectra, and specView.tcl
for viewing 1D and 2D spectral series. Many NMRPipe programs are operated from the UNIX command line,
and some, such as the nmrPipe
program itself, are almost always used from inside a shell script.
The nmrWish
script interpreter includes the standard features
of TCL,
TK,
and BLT, as well as many other NMR-related functions
that have been added.
Most of NMRPipe's programs and scripts have command-line options, which you can list by using the -help
option.
For example, typing nmrPipe -help
will list the general command line arguments for nmrPipe
. Typing nmrPipe -help -fn ZF
will display information about NMRPipe's Zero Fill function ZF
.
Built for research
Powerful NMR processing
Decades of active development, trusted by researchers at institutions worldwide and noted in roughly 40% of all NMR structures in the PDB.
- Easy Installation
-
Pre-built packages for Linux and macOS with step-by-step guides to get your processing pipeline running quickly.
- Actively Developed
-
Regular source code updates bring new processing functions, bug fixes, and compatibility improvements to keep pace with modern NMR workflows.