Description Usage Arguments Author(s) Examples
distance root-mean-square deviation
1 | dRMSD(VEC1, VEC2, N_atm)
|
VEC1 |
the reference vector |
VEC2 |
the second Conformation vector |
N_atm |
the number of atom |
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
1 | not defined yet
|
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