Read Me

###	ChemTraYzer - Chemical Trajectory Analyzer	###
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1. installation:
   Some standard pyhon libraries are requires:
	sys, array, time, textwrap, subprocess

   The 'processing.py' package requires the openbabel package, version
   2.3.2 or later.

   The 'analyzing.py' packages also requires the openbabel package and
   it requires the pybel and the pygraphvix packages. Further, it uses
   the console command 'convert' which comes with the ImageMagick code

   If you do not require the function for plotting concentrations, you
   do not need the matplotlib and numpy packages (requires removing
   them from the import section)

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2. usage:
   Information on input options are given when calling the packages
   without arguments (>> python processing.py OR >> python analyzing.py)

   Some of these options are used in the example (which can be found in
   the example folder)

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3. example: CH4 + OH -> CH3 + H2O
   (cf. README in example folder for more details)

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4. how to cite:
   When using the ChemTraYzer software package, please cite:
   DOI: 10.1021/acs.jctc.5b00201

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