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Describe how haddock3 restraints web service is used on scenario pages.
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# Scenarios | ||
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## Under the hood | ||
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1. Pdb file picked | ||
2. Uses ngl to parse chains from file | ||
3. Select chain | ||
4. Preprocess pdb file: select chain | rename chain to A or B | fix insertion codes | select alt loc | ||
5. Parse chains/residues from preprocessed file | ||
6. Uses restraints calculate_accessibility endpoint to get surface residues | ||
7. Select an active redidue | ||
8. Uses restraints passive_from_active endpoint to get passive residues | ||
9. Repeat steps 7-8 until satisfied | ||
10. Steps 1-9 for second pdb file | ||
11. Uses actpass_to_ambig endpoint to generate ambig tbl file | ||
12. Uses restrain bodies endpoint of both pdb files to generate unambig tbl file | ||
13. Create archive with workflow, processed pdb files and tbl files |