Calculate ECFP4 using RDKit

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1. Clone the ChemInfTools repository: 

 git clone https://github.com/docking-org/ChemInfTools.git

2. Ensure that you have sourced a python3 environment. E.g., 

 source /nfs/soft/ian/python3.8.5.sh

3. Run the script: 

 python ChemInfTools/utils/teb_chemaxon_cheminf_tools/generate_chemaxon_fingerprints_py3.py <SMILES_FILE> <OUTFILE_PREFIX>
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