Iam Jana, a protein NMR spectroscopist, interested in both theory and application of solution state NMR. Iam also interested in the theory of solid state and MRI.

I have few C codes written for data analysis e.g, AUTOFACE (Automatic Fast Chemical exchange analyzer) to automate the fast exchange based binding site analysis. A peer reviewed paper on fast chemical exchange is available to elaborate this automation. Comprehensive approach to study the chemical exchange through 'dynamic line shape analysis' adopting a genetic algorithm based optimization will be available in near future.

A curve fit program to fit complex analytical model is available in both matlab and C language.

There are many examples of latex codes to generate thesis, booklets, presentation and posters available at the  Latex2e download section.

Some interesting Gnuplot based 3D plots, contour plots, multiplots are available in  Gnuplot scripts along with the data.

A simple Mathematical modelling booklet using differential equations for understanding kinetics is available in 'Booklets' section.

Simulation of NMR pulse sequences through density matrix approach helps in understanding NMR experiments. Some of the Simulation codes for 1D to multiple dimensional experiments are available in Download section. A simple c script is available in the same page to generate operators for evolution and pulses.

Open-ITC is an open source program published in a peer reviewed journal. It was written using GSL library and NSGA-II (Deb et al) for analyzing the ITC data. The source code of this program is available in the download section.

The whole thermogram of ITC can be simulated using dynamic approach. The matlab program to simulate such ITC profiles can be obtained from our article published in BBREP journal.

https://www.sciencedirect.com/science/article/pii/S2405580819303875

The same matlab code may not run in Octave because of the different ode solvers library available in matlab. Here we provide for a simple two-state model, a representative octave code to show how the published matlab code can be modified to run in octave using LSODE library.

(Graphical based curve fit program and more NMR simulation codes will be available in future for academic interest)

(Please click the icon in  respective pages to download the files correctly )