Moment of Inertia of a Molecular System
Computes the inertia tensor of a molecular system from atomic coordinates and masses.
inertia(...) ## S3 method for class 'coords' inertia(x, m = NULL, ...) ## S3 method for class 'atoms' inertia(x, m = NULL, ...) ## S3 method for class 'pdb' inertia(x, m = NULL, ...)
x |
an R object containing atomic coordinates. |
m |
a numeric vector containing atomic masses. |
... |
further arguments passed to or from other methods. |
inertia is a generic function to compute the inertia tensor of a
molecular system. For object of class ‘coords’ both atomic coordinates
and masses have to be speifyed. For object of class ‘atoms’ the masses
are determined from the elename component of the object (see
toSymbols and masses). For object of class
‘pdb’ the atoms component is used.
Return the inertia tensor in a 3x3 matrix.
C70 <- read.pdb(system.file("examples/C70.pdb",package="Rpdb"))
inertia(C70)
visualize(C70, mode = NULL)
viewXY()
viewInertia(C70)Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.