buffer_masses = {'Compound 10': 10.065 * ureg.gram} compound_masses = {'Compound 10': 15.05 * ureg.milligram} ligand_solutions = list() for (index, ligand) in enumerate(ligands): ligand_solution = SimpleSolution( compound=ligand, compound_mass=compound_masses[ligand.name], solvent=buffer, solvent_mass=buffer_masses[ligand.name], location=PipettingLocation(source_plate.RackLabel, source_plate.RackType, index + 1)) ligand_solutions.append(ligand_solution) # For convenience, report concentrations print('STOCK SOLUTION CONCENTRATIONS:') location = ITCExperimentSet.human_readable(receptor_solution.location) print( f"{receptor_solution.name:20} in {location:32} : {receptor_solution.compound_mass.to('milligrams')} receptor in {receptor_solution.solvent_mass.to('grams')} solvent : {receptor_solution.concentration.to('millimolar'):30}" ) for ligand_solution in ligand_solutions: location = ITCExperimentSet.human_readable(ligand_solution.location) print( f"{ligand_solution.name:20} in {location:32} : {ligand_solution.compound_mass.to('milligrams')} compound in {ligand_solution.solvent_mass.to('grams')} solvent : {ligand_solution.concentration.to('millimolar'):30}" ) print('') # Define ITC protocol. # Receptor cell concentrations to evaluate #cell_concentrations = [0.010 * ureg.millimolar, 0.020 * ureg.millimolar, 0.030 * ureg.millimolar] #cell_concentrations = [0.020 * ureg.millimolar]