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

2019-12-27T15:44:05Z (GMT) 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/