alhashimilab / imino1Hexchange

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Here is the repository of the script to process and fit imino 1H exchange experiments

Reference Rangadurai A., Shi H., Xu Y. et al (2020) 'delta-Melt: Nucleic acid conformational thermodynamics from melting experiments' BioRxiv

Here is the template NMR folder (with a ser file) of the imino proton exchange with all the processing Python Script

Dependency: Python 2.7.10, Pandas 0.17.1, Numpy 1.10.4, Scipy 0.17.0, Nmrglue 0.5, Matplotlib 2.2.2, NmrPipe 10.1

Procedure

1. Type "bruker" and generate "fid.com"
2. Modify "Process_ex_ir.py" and type "python Process_ex_ir.py" and generate pseudo ft2 file
3. Modify "Simulation_ex_ir.py" and type "python Simulation_ex_ir.py" and generate the sim folder with all the simulation 1D peak
4. Modify "Fit_ex_ir_3.py" and type "python Fit_ex_ir_3.py".

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