dRMSD: distance root-mean-square deviation

Description Usage Arguments Author(s) Examples

View source: R/dRMSD.R

Description

distance root-mean-square deviation

Usage

1
dRMSD(VEC1, VEC2, N_atm)

Arguments

VEC1

the reference vector

VEC2

the second Conformation vector

N_atm

the number of atom

Author(s)

Hamid Davoukhani h.davoudkhani@gmail.com

To calculate the root-mean-square deviation between the atoms in two configurations

dRMSD = √{ 1/N(N-1) * ∑{(X_i - X_j)^2L} where i != j}

X_i coorodinate of Atom i

X_j coorodinate of Atom j

N number of atoms

Examples

1
not defined yet

Shaziya2020/SOMMD_11721 documentation built on Dec. 18, 2021, 1:06 p.m.