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In this tutorial we will determine the resonance assignments and the structure of a protein-ligand complex using modules of CYANA.

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1. Go to your home directory (or data directory).
2. Get the data for the practical from the server (data.zip).
3. Unpack the input data for the practical.
4. Get the demo version of CYANA for this practical.
5. Unpack CYANA.
6. Setup the CYANA environment variables.
7. Change into the newly created directory 'data'.
8. Copy the demo_data directory to 'flyabb'.
9. Change into the subdirectory 'flyabb'.
10. Test whether CYANA can be started by typing its name, 'cyana'.
11. Exit from CYANA by typing 'q' or 'quit'.
12. Download Chimera (to your personal laptop) from: Chimera
13. Download Avogadro (to your personal laptop) from: Avogadro

cd ~
cp /home/julien/data.zip .
tar zxf data.zip 

wget 'http://www.cyana.org/wiki/images/6/64/Cyana-3.98bin-180213Demo.tgz'
tar zxf Cyana-3.98bin-180213Demo.tgz
cd cyana-3.98/
./setup

cd ~

cd data
cp -r demo_data flyabb 
cd flyabb

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Run the calculation:

cyana -n 33 CALC.cya

solutions