Published April 7, 2017
| Version v1.0.1
Software
Open
C++ code using Dijkstra's algorithm to locate proton transport pathways
Description
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/
Files
Sumner-Group/dijkstra-water-wire-v1.0.1.zip
Files
(4.1 MB)
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md5:9ef7113eb37f3ed3c7364c12c8fa37e9
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Additional details
Related works
- Is identical to
- https://github.com/Sumner-Group/dijkstra-water-wire/tree/v1.0.1 (URL)
References
- E.W. Dijkstra, A note on two problems in connexion with graphs, Numer. Math. 1 (1959) 269–271. doi:10.1007/BF01386390.
- A. Goel, Printing Paths in Dijkstra's Shortest Path Algorithm, http://www.geeksforgeeks.org/printing-paths-dijkstras-shortest-path-algorithm/