Version-6.py: Difference between revisions

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'''How to use it :  python version-6.py'''
'''How to use it :  python version-6.py'''


'The 1st File Generated: species_list.txt'
''The 1st File Generated: species_list.txt''
The 2nd File Generated: reaction_list.txt
The 2nd File Generated: reaction_list.txt
The 3rd File Generated: label_dic.txt, c1c2c3.txt (By hand)
The 3rd File Generated: label_dic.txt, c1c2c3.txt (By hand)

Revision as of 13:20, 10 February 2017

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File:Version-6.tgz

This Script Generates Glycerol Decomposition Network and Complete Intermediates


How to use it : python version-6.py

The 1st File Generated: species_list.txt The 2nd File Generated: reaction_list.txt The 3rd File Generated: label_dic.txt, c1c2c3.txt (By hand) The 4th File Generated: reaction_energy.txt The 5th File Generated: selected_reactions.txt The 6th File Generated: filtered_reactions.txt