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

Member Site › Forums › Rosetta++ › Rosetta++ – General › To apply distance constraint to MULTIPLE residue pairs, what’s the format? › Reply To: To apply distance constraint to MULTIPLE residue pairs, what’s the format?

April 10, 2009 at 9:51 am #4067
Anonymous

    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