IBS pulse sequence tools for Bruker spectrometers
A combination of python setup scripts and Bruker pulse sequence programs for easy use and sharing of protein NMR experiments.
The main features of the IBS pulse sequence tools are the following:
Currently, the IBS library contains most of the fast NMR experiments (SOFAST-HMQC, HET-SOFAST, BEST-HSQC, BEST-TROSY, HADAMAC, ...) developed during recent years at IBS. In addition, it also contains a few basic experiments (1H-13C and 1H-15N HSQC, 15N T1, T2 and HETNOE, ...), as well as tools for pulse calibration, setup of composite pulse decoupling, and advanced data processing.
Setting up an experiment: how does it work?
For the setup of a new experiment, a python script is executed (by clicking on the corresponding button) that performs the following actions;
Use of PROSOL and 1H, 15N and 13C pulse calibrations
The IBS sequence tools use a reduced Prosol relation file that only contains the hard pulse power levels (plw1, plw2, plw3, ...) and the corresponding 90° pulse lengths (p1, p3, p21, ...).
Important point: The getallprosol macro should be executed once before setting up an experiment of the IBS library. This macro defines the correct 90° hard-pulse lengths for the 1H, 13C and 15N channels, by executing a command such as getprosol 1H 9 10W 15N 35 300W 13C 12 200W
If the pulse calibrations have not yet been determined for a given sample and spectrometer, this can be achieved in a fast and automated way, using the PULSE CALIBRATION tools of the IBS library.
Easy installation of IBS library
Before starting: setup an n experiment (from the Bruker library), and write the parameter set with the name HCN
Corresponding shell commands:
You can test the library on your protein by running a large set of experiment in 1D, 2D or 3D mode by using the button (’Setup a series of exp.’).
How to create your own tools ?
All pulse sequences and python scripts have been tested on Bruker Avance III HD spectrometers and TopSpin version 3.2 using Linux host computers. The authors and IBS are not liable for any loss or damage arising from the use of this software package.
These tools have been developed at the Institut de Biologie Structural (IBS) in Grenoble.
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