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Description: Using the enzymatic rules derived from the EC nomenclature, we designed an algorithm to exhaustively search the tree of possible pathways between any two compounds. Source code: An open-source python tool that performs these calculations and provides minimal pathways is available at http://code.google.com/p/bio-pathfinder/. System Requirements: * Python 2.5 - 2.6 * Numpy * Tkinter * Openbabel (http://openbabel.org/wiki/Get_Open_Babel) On OS X 10.5 and later, all requirements except openbabel are met out of the box. On most modern Linux distributions, python 2.6 is provided, but Numpy and Tkinter should be installed separately. In Windows, all requirements should be downloaded and installed manually. Usage: src/pathfinder.py: This program demonstrates the ability of the algorithm to find putative pathways between pairs of compounds using the set of EC classes available in the resource file (rec/reaction_templates.dat). The results are written to an HTML and can be viewed on any browser capable of showing SVG objects (e.g. Firefox, Safari, Chrome). src/pathcounter.py: Uses the same methodology as pathfinder, without showing each possible path. It rather generates a text file (log/pathcounter.log) containing the number of possible pathways between every pair of compounds, for every given number of steps. src/find_path_example.py: An example program that demonstrates how to run a simple DFS search for all pathways that connect to given compounds (or set of compounds). All results are printed out to stdout. Contact: For any further questions, please contact Elad Noor at elad.noor@weizmann.ac.il, or 972-8-934-4540.
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