Verloop's sterimol values from moleculaR's csv files — steRimol.multi • moleculaR

Calculate multiple sterimol values for a set of molecules

Usage

steRimol.multi(coordinates_vector, CPK = F, only_sub = T, drop = NULL)

Arguments

coordinates_vector: primary axes, a vector of two atom characters
CPK: logical, if TRUE will use CPK radii based on Verloop's atom type, if FALSE (default) will use Pyykko's covalent radii
only_sub: if TRUE (default) will account only for atoms directly bonded from the primary axis onward
drop: numeric value of an atom, from which onward atoms will be dropped from calculation

Value

sterimol values (multiple)