How to specify only certain cysteines to form disulfide bonds?

HADDOCK
1

Hello,

I have a PDB file where not all CYS residues form disulfide bonds. I learnt from this question that HADDOCK3 will evaluate all CYS combinations for potential disulfide bonds. Is there a way to specify only certain cysteines to form disulfide bonds?

Thank you.
Hoa

2

Not possible, but if they are not close in space this should not be an issue.

3

Dear Mr. Bonvin,

Thank you for your prompt reply. I hope that unwanted disulfide bonds won’t be an issue to the docking score.

Best regards,
Hoa