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

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April 8, 2009 at 4:23 pm #4062
bpierce
Participant

    Hi Shirley,

    For rosetta++ the format for constraints (in a .cst file) is like this:

    CB-CB csts from ksync alignment
    measured in 1XZY.pdb
    551
    4 CB 19 CB 18.02 14.02 0.00
    4 CB 20 CB 12.95 8.95 0.00
    4 CB 22 CB 7.62 3.62 0.00
    4 CB 23 CB 9.48 5.48 0.00
    4 CB 24 CB 7.48 3.48 0.00
    …

    The number 551 refers to the total number of constraints in teh file.

    I guess you are using docking. I think docking will also read the above style constraint file (but I’m not 100% sure). Try it and see.

    Vanita.