Compute atom distances of a set of molecules

This function acts on a read feather file Input is a character of atoms, splited to pairs atoms separated by a space (e.g. '1 2 3 4') are accounted for as the pairs 1-2 and 3-4

Usage

atoms.distance.df(atom_pairs)

Arguments

atom_pairs

a character

Value

(num of molecules)x(num of pairs) data frame of the distances in Å