Seitenhistorie

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In less than a minute, the calculation is ready.
We have now the structure file: demo.pdb
and the overview file about the calculation: demo.ovw

Close CYANA by typingCYANA 
cyana> exit

Introduction for task 5:

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1. Copy the calc_ligand_structure into a new one.
   cp -r task_4_to_5 task_4_to_5_noSD 
2. Open the mol.upl In the text editor, delete the line with the  problematic restrain.
3. Repeat the structure calculation in CYANA:
   cyana> reg

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1. Prepare the intermolecular distance restraints. For that, follow the same steps as in
   Task 3, but for the Table: "Intermolecular NOE". Use the same same pair of atoms for calibration of the distances.
2. In the part3 directory
   , place the the distances into into intermolecular.upl
3. Copy the also the  mol.upl file here from the Task 4 (part1/task4_to_5).
4. One option is to combine these files:

   cat final_protein.upl mol.upl intermolecular.upl > complex.upl

• calculate the structure:
  cyana reg.cya
• check the resulting structure using chimera
  for clarity, select only the first structure (as in Task 5)
  
  

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