Reply To: To apply distance constraint to MULTIPLE residue pairs, what’s the format?

[Anonymous]

Hi Shamima,

Thank you for your comments. You are right, the .cst file only poses a loose definition for binding interface residues. I would also like to apply distance constraints in .dst file instead if it were available.

Best regards,

Shirley

> Hi Shirley,
>
> If I’m not wrong, the constraints specified in a .cst file “force” Rosetta to only output decoys that contain those specified residues (1-4, 8 of Chain A and 1-3 of Chain B in your case) at the binding interface. Any decoys that do not include these residues as part of the binding interface are automatically rejected.
>
> However, if I’m not mistaken it’s just a “loose definition” of ensuring the residues are present at the binding interface. Which is why I’m trying to achieve a closer (or accurate?) binding by specifying distance constraints in the .dst file, but to no avail thus far as far as multiple residues are concerned.
>
> Regards,
> Shamima