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

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/

{"references": ["E.W. Dijkstra, A note on two problems in connexion with graphs, Numer. Math. 1 (1959) 269\u2013271. doi:10.1007/BF01386390.", "A. Goel, Printing Paths in Dijkstra's Shortest Path Algorithm, http://www.geeksforgeeks.org/printing-paths-dijkstras-shortest-path-algorithm/"]}

Related Organizations

James Madison University
United States

Keywords

proton transport, Dijkstra's algorithm, molecular dynamics

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	0
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Average
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Average
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average

Usage byUsageCounts

visibility

views

9

9
views
Powered by

Found an issue? Give us feedback

visibility

0

Average

9