#============================================================* # test fitting peptide-glycans * #============================================================* # set units units units scale name = mass uname = reducedMass value = 10000.0 # open pdb file database open name = dh138 format = pdb file = dh138_conf1.pdb # read molecule molecule read name = m1 database = dh138 # create a some domains domain create d1 = A domain d1 bonds bond_color = element show = true domain create d2 = A #domain d2 bonds atom_color = element show = true domain d2 fit sequence = A[1] \ atom_names = { C259 N227 C219 } \ destination = d1 \ destination_sequence = A[1] \ destination_atom_names = { C120 C117 N116 } \ rotation = on \ copy = d2Fit #domain create d2Fit = A #domain d2Fit xform translation = [ 10 0 0 ] domain d2Fit bonds bond_color = [ 1 1 0 ] atoms = true show = true