[CODE] Simulating Polymer Chain Patterns from NMR Results

This is a jupyter notebook script designed to calculate the most likely pattern for a sequence of monomers based on a given number of expected triads and monomers from NMR analaysis on a polymer chain. It uses a system based on the Monte Carlo random walk method to investigate a large number of possible sequences and output those that most closely fit the NMR data. The outputs for this code include a series of graphs and histograms to analyse the Monte Carlo method, a list of the most relevant sequences (also shown pictorially) and information on how the average sequence length varies within the results. Initial parameters and plots given in the model are an example set of NMR results. Any problems or questions email: [email protected]

Neal, E., & Neal, T. (2023). Simulating Polymer Chain Patterns from NMR Results (1.0.0). Zenodo. https://doi.org/10.5281/zenodo.10410625