Member Site Forums Rosetta 3 Rosetta 3 – General about constraints Reply To: about constraints


    If you are concerned that the constraints are not being used (which is a pretty valid concern), try using deliberately corrupt constraints – use a constraint that refers to residue 100000 or something. If it doesn’t crash, it isn’t reading the constraints file.

    The constraint weight will only matter if the constraint is NOT satisfied – a satisfied constraint has a score of zero and thus the weight is irrelevant. Are your constraints not satisfied?

    It is also useful to calculate what you think the constraint score ought to be when not satisfied (after multiplying by the weight) – if it’s not at least 1% compared to the rosetta total_score, then the constraint isn’t strong enough to have much effect.

    I’m not aware of any further documentation.