The script generateReactions.py generates reactions between all species mentioned in an input file. To call this method type:
python generateReactions.py Input_File
where Input_File
is a file similar to a general RMG input file which contains all the species
for RMG to generate reactions between. An example file is placed in $RMGPy/examples/scripts/generateReactions/input.py
.. literalinclude:: ../../../../../examples/scripts/generateReactions/input.py
This method will produce an output.html
file in the directory of input.py
which contains the all the reactions produced between the species.
This method is also available to use with a web browser from the RMG website: Populate Reactions.