Complementary_Vdistance: Moleculors vertex complementary matrix

In FedericoViv/Moleculors:

Description

This function compute the vertex version of the complementary vertex matrix . It take has input the Vdistance_matrix and for each element of the matrix if i != j it returns the value of dmin + dmax - elemij were dmin is the minimal lenght in the molecular graph (1 for simple molecules) dmax is the maximum lenght in the system and elemij is the value of the element i j of the vertex distance matrix

Usage

Complementary_Vdistance()

Value

Vertex reciprocal matrix for the loaded molecule. Matrix is stored in Mol_mat environment.

Examples

Complementary_Vdistance()

FedericoViv/Moleculors documentation built on Jan. 17, 2022, 12:23 a.m.