Exemplo n.º 1
0
 def getOptions(trials, material, duplex_complex, dangle, success_stop_condition, failed_stop_condition):
 
     o = Options(simulation_mode="First Step", substrate_type=material, rate_method="Metropolis", 
                 num_simulations=trials, simulation_time=ATIME_OUT, temperature=T)
     
     o.start_state = [duplex_complex, dangle]
     o.stop_conditions = [success_stop_condition, failed_stop_condition]
     
     
     # FD: The result of this script depend significantly on JS or DNA23 parameterization.
     o.unimolecular_scaling = 5.0e6;
     o.bimolecular_scaling = 1.4e6;
     
     return o
Exemplo n.º 2
0
    def helper_create_Multistrand_options(self, sequence, time, count):
        """ helper """

        s1 = Strand("test_strand1", str(sequence), None)
        c1 = Complex(1, "start", [s1], "." * len(sequence))

        o = Options()
        o.simulation_mode = Constants.SIMULATION_MODE['Python Module']
        o.use_stop_states = False
        o.num_simulations = count
        o.simulation_time = time
        o.start_state = [c1]
        o.dangles = Constants.DANGLES['All']
        o.rate_method = Constants.RATEMETHOD['Kawasaki']
        o.bimolecular_scaling = 1.0
        o.unimolecular_scaling = 1.0
        o.temperature = 37.0
        o.boltzmann_sample = False

        return o