Fortran and Python tools for assigning protein NMR data with multi-objective optimization.
Tools to help assign protein (solid-state) NMR spectra with resonance overlap and missing peaks. The project is based on the methods of Tycko et. al. [1-2] and Yang et. al. [3].
The primary motivation for the project is to ease the production of input data for the multi-objective optimization routines introduced by Yang et. al..
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Install python tools.
python setup.py install
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Compile Fortran tools.
cd <project path>/fortran/nsga2/ make
The Makefile works well with gcc-gfortran version 6 from brew.
- Tycko, R. and Hu, K. N. J. Magn. Reson. 205, 304-314 (2010).
- Hu, K. N.; Qiang, W.; Tycko, R. J. Biomol. NMR. 50, 267-276 (2011).
- Yang, Y.; Fritzsching, K. J.; Hong, M. J. Biomol. NMR. 57, 281-296 (2013).