Units

get_unit_multiplier(units)

Function so that I only have to put the unit dictionary in one place

Param:

units: units

Returns:

unit dictionary

ki_to_kcal(ic50, units='uM')

convert a Ki or IC50 value in M to kcal/mol

Parameters:

• units – units

• ic50 – IC50 value in M

Returns:

IC50 value converted to kcal/mol

kcal_to_ki(kcal, units='uM')

Convert a binding energy in kcal to a Ki or IC50 value

Parameters:

• kcal – binding energy in kcal/mol

• units – units for the return value

Returns:

binding energy as Ki or IC50