C++ Code Using Dijkstra'S Algorithm To Locate Proton Transport Pathways

Software OPEN SOURCE
Sumner, Isaiah;
(2017)

<p>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 off of code written by Aditya Goel and found here: http://www.geeksforgeeks.org/printing-pat... View more
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