Applying RMSD constraints using pyrosetta or Rosettascripts
Hello all,
I'm interested in applying RMSD constraints to a pose using pyrosetta.
I currenly have a native pose which is deformed manually, such the the backbone RMSD with respect to the native is 1 Angstroms.
pose.residue(r).set_xyz(a, py.rosetta.numeric.xyzVector_double_t(new_coords[0], new_coords[1], new_coords[2]))
However, when I relax (cartesian), I notice the structure relaxing back to the native, ie the RMSD decreases to ~0 Angstroms.