mol_view_cpk

mol_view_cpk(mol, reset=TRUE, alpha=1, rfactor=0)

Arguments

mol

reset

TRUE

alpha

1

rfactor

0

Details

Value

References

Note

See also

Examples

##---- Should be DIRECTLY executable !! ---- ##-- ==> Define data, use random, ##-- or do help(data=index) for the standard data sets. ## The function is currently defined as mol_view_cpk <- function(mol, reset=TRUE, alpha=1, rfactor=0) { natoms <- length(mol$atoms) x <- double(natoms) y <- double(natoms) z <- double(natoms) colors <- double(natoms) radius <- double(natoms) for (i in 1:natoms) { atom <- mol$atoms[[i]] x[i] <- atom$x y[i] <- atom$y z[i] <- atom$z colors[i] <- PT.Color[[atom$el]] radius[i] <- PT.AtRad[[atom$el]] * rfactor } if (reset) { open3d() bg3d("white") } spheres3d(x, y, z, color=colors, radius=radius, alpha=alpha) }