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- Tempe, AZ
This is a repository for the analysis scripts I commonly use for my PhD research.
The purpose of these scripts is to automate the generation of files necessary for all-atom molecular dynamics simulation of multiple copies of a mutant of a peptide.
The purpose here is to create a 4-dimensioal vector by merging two data files, and then perform clustering on it. K-medoids clustering is robust to outliers, so this one is being chosen. Since the …