To obtain the program, simply send a mail to Marc A. Delsuc. The program is free for academic use.
For a commercial use, please contact the NMRtec company
NPK permits to process 1D, 2D and 3D NMR data-sets very efficiently. Either you use pre-programmed actions, or realize your own processing in python, and a complete processing modelisation is available.
NPK appears as a python program, you can either use NPK with standard procedures, or write you own python program.
NPK is really a java program, so you will need Java installed. Starting NPK is thus lauching a java program. However the NPK user interface is based on python. This is done thanks to the jython development : www.jython.org. Jython magically implements python within Java. You program in python, yet it is the Java machine that does the work. Additionnaly, the whole Java environment is available.
Thanks to java, NPK is available for MacOsX, Linux and Windows. The archive contains all the binary necessary for 4 different plateforms : Windows/X86 - Linux/X86 - MacOsX/X86 - MacOsX/PPC.
WARNING, NPK is only 32bit for the moment. So if you are running on a 64bit Linux distribution with a Java Machine 1.5, which runs in 64bit, you will be in trouble. On my cluster, java -d32 does not work, so I had to downgrade to Java 1.4 to have NPK working.
The mathematics are done through the use of an external library, linked into java as a JNI library. This library is a rewrite of the Gifa program.
NMRnotebook, a commercial program developed by NMRtec SA, is based on NPK and permit to graphically display the NMR data-sets.
The program is composed of the following files/directory :
The first time NPK is started, several files are created.
First be sure that the SUN Java JRE is installed on your machine. The 1.4 version or higher is required.
If you unsure on which version is installed on your machine type :
in a terminal
After having unzipped the NPK.zip archive, you will have the file set-up described above. Depending on the system you are using, you have to copy the needed library into the Java directory.
Then you will have to adapt the NPK.sh shell script (Linux and MacOsX) or npk.bat (Windows) by setting the variable values to the correct ones.
Finally, running the program consists simply in typing in a terminal
(on MacOsX and Linux)
The first time the program is run, several files are created : first jython creates cache files for all the java set-up. These files are located in NPK/python/cachedir directory.
Then the python code is compiled as *$py.class files in the NPK/python/NPK directory.
NPK is an NMR processing program developped by