Helper Functions for Rotation of Atomic Coordinates
Rotation of atomic coordinates along a specific Cartesian vector.
Rx(...) ## S3 method for class 'coords' Rx(x, angle = 0, mask = TRUE, cryst1 = NULL, ...) ## S3 method for class 'pdb' Rx(x, angle = 0, mask = TRUE, cryst1 = x$cryst1, ...) Ry(...) ## S3 method for class 'coords' Ry(x, angle = 0, mask = TRUE, cryst1 = NULL, ...) ## S3 method for class 'pdb' Ry(x, angle = 0, mask = TRUE, cryst1 = x$cryst1, ...) Rz(...) ## S3 method for class 'coords' Rz(x, angle = 0, mask = TRUE, cryst1 = NULL, ...) ## S3 method for class 'pdb' Rz(x, angle = 0, mask = TRUE, cryst1 = x$cryst1, ...)
x |
an R object containing atomic coordinates. |
angle |
the angle of the rotation in degrees. |
mask |
a logical vector indicating the set of coordinates to which the rotation has to be applyed. |
cryst1 |
an object of class ‘cryst1’ use to convert fractional into Cartesian coordinates when need. |
... |
further arguments passed to or from other methods. |
These functions are helper functions to perform a rotation around a specific
Cartesian vector. All of them call the R function.
An object of the same class as x with rotated coordinates.
# First lets read a pdb file
x <- read.pdb(system.file("examples/PCBM_ODCB.pdb",package="Rpdb"))
cell <- cell.coords(x)
visualize(x, mode = NULL)
# Rotation of the structure around the z-axis
visualize(Rz(x, 90), mode = NULL)
# Rotation of the residue 1 around the c-axis
visualize(Rz(x, 90, mask=x$atoms$resid==1), mode = NULL)Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.