To demonstrate the use of our framework as a design tool, we explored the effects of altering the design features of the rotary motor on its current and efficiency (see SI section VI). Basing the simulations on experimentally derived parameters 14 (see SI section VI A), we established that under the experimental conditions employed, the rotary motor is driven purely by information flow as only the macrocycle distribution, rather than binding site affinity (within the detection limits of 1 H nuclear magnetic resonance (NMR) measurements), is altered during operation. Under experimental conditions ([motor] = 10 mM, [Fmoc-Cl] = 30 mM, which is sustained by constant addition, [bulky catalyst] = 50 mM, [Et 3 N] = 15 mM, [KHCO 3 ] = 200 mM, CH 2 Cl 2 , room temperature), the current was estimated to be 2.1 • 10 -8 mol dm -3 s -1 , requiring an average of seven fuel molecules per cycle per motor, though only 10 -6 % of the free energy provided by the fuel is used to sustain the current (efficiency, η = 10 -8 , see equation ( )).