Scripts

 

The SBTOOLS web site contains a script generator for the Rowland NMR Toolkit. Most users will find this the easiest way to use the Toolkit for quotidian NMR data processing.


Some additional useful scripts are listed below.


rnmrtk_installer.com - This shell script installs the Rowland NMR Toolkit on either Linux or Apple OS X systems. The program installs the Toolkit files, modifies system parameters that control shared memory, and mofidies global system configuration files to adjust environmental variables. The user is prompted along the way with several questions. Any part of the installer script may be skipped, while still running other parts. Backup files of any files that are modified are created automatically. The script assumes that you have a pre-compiled version of the rnmrtk package. The script is provided with new releases of the Toolkit, however it is compatible with all V3 releases.

INSTALLATION/USAGE: Place the program in the same directory as the rnmrtk.v3.tar file and execute it. You may need to change permissions first with chmod u+x to make the program executable. You need to be root or have administrative privileges to install the program.


procpar.prl - Perl script used to extract relevant information needed to process NMR processing parameters from a Varian procpar file. The usage of the script is "procpar.prl procpar 4.772" where procpar is the name of the Varian procpar file and 4.772 is the center of the 1H dimension in the acquisition dimension. Referencing information for other dimensions and nuclei are calculated using the method of Wishart. Spectrometer frequencies are all calculated at 0 ppm for referencing purposes. The script generates a text file with a summary of the results in addition to posting the results to the screen.


INSTALLATION: The file must be installed in the path.
NOTE: If Varian data is saved with the modified BPsvf command which calls the varian2sbtools macro this script is redundant and not needed any longer.