Rpdb (version 2.0)

addPBCBox: Add a PBC Box to the rgl Scene

Description

Add a PBC box to the current rgl scene.

Usage

addPBCBox(x, lwd = 2)

Arguments

x

an object of class cryst1 containing unit cell parameters.

lwd

a numeric value indicating the line width used to draw the PBC box.

Value

• Return (using invisible) a two-column data.frame containing the IDs and type indicators of the objects added to the scene.

Details

Add a box representing the Periodic Boundary Conditions of a molecular system.

See Also

addABC, addXYZ, visualize, rgl.cur, par3d

Examples

x <- read.pdb(system.file("examples/PCBM_ODCB.pdb",package="Rpdb"))
visualize(x, type = "l", abc = FALSE, pbc.box = FALSE)
addPBCBox(x$cryst1)