Sumner-Group_dijkstra-water-wire-v1.0.1.zip (3.95 MB)

C++ code using Dijkstra's algorithm to locate proton transport pathways

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posted on 27.12.2019 by Sumner, Isaiah

This is the initial release of code that will find water wires connecting a proton donor and acceptor in an Amber ASCII mdcrd trajectroy file or a pdb trajectory. It is based of off code written by Aditya Goel and found here: http://www.geeksforgeeks.org/printing-paths-dijkstras-shortest-path-algorithm/

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