Reply To: Disuplhide bonds

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

January 8, 2010 at 8:33 pm #4300
Anonymous

    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
    0.0

    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 atomS1.xyz – atomS2.xyz, and using it as an identifier of the bond.