OESliceEnsembleDefaults

This namespace contains constants that are used for defaults of OESliceEnsemble.

RMS

RMS value for duplicate removal. Set to 0.5.

MaxConfs

Maximum number of conformers in the ensemble. Set to 200.

EnergyRange

Energy windows range is set to [10.0, 15.0, 15.0, 20.0]. With the default range increment of 4, this means that the energy window is 10.0 for the molecules with 0–3 rotors, 15 for ones with 4–11 rotors and 20 for 12 or more rotors.

RangeIncrement

RangeIncrement is set to 4.