Member Site Forums PyRosetta PyRosetta – General Disuplhide bonds Reply To: Disuplhide bonds


    I have tried to use the pose.conformation().bond_length to get information about the bond lengths of disulfides, and after testing it on a known structure with a known disulfide I get:

    core.kinematics.AtomTree: unable to find DOF_ID for bond_length: atomno= 6 rsd= 5 atomno= 6 rsd= 35

    Anyone know how to ‘fix’ this?
    Anyone else trying something similar?

    I think next is to calculate the distance b/t the sulfur atoms using –, and using it as an identifier of the bond.