# Structure calculation with RDC data and automated NOE assignment peaks := nnoeabs,cnoeabs,aliabs prot := noec_sw,noec_sw,d2oc_sw tolerance := 0.030, 0.020, 0.60 restraints := talos2.aco,hr55.rdc #calibration_constant :=6.6E+06,8.40E+06,6.5E+06 structures := 100,20 # number of initial, final structures steps := 15000 # number of torsion angle dynamics steps seed = 274705 # random number generator seed upl_values :=2.5,6.9 weight_rdc = 0.02 # weight for RDC restraints cut_rdc = 0.2 # cutoff for RDC violation output protocol := cyanalog noeassign peaks=$peaks prot=$prot autoaco