Nothing
#' Read, Write, Visualize and Manipulate PDB Files
#'
#' Provides tools to read, write, visualize PDB files, and perform structural manipulations.
#'
#' This package enables users, e.g. computational chemists,
#' to manipulate molecular structures stored in PDB files.
#' It enables users ro read, write and visualize PDB files.
#' Various basic structural manipulations are also supported.
#' Conversion of Cartesian coordinates into fractional coordinates.
#' Spliting a molecular structure into fragments.
#' Computation of centers-of-geometry and centers-of-mass.
#' Wrapping molecular structure using periodical boundary conditions.
#' Translation, rotation and reflection of atomic coordinates.
#' Calculate atomic bond lengths, angles and dihedrals.
#'
#' @author Julien Idé \email{julien.ide.fr@gmail.com}\cr
#'
#' @references
#' More information on the PDB format can be found here:\cr
#' http://www.wwpdb.org/documentation/format33/v3.3.html
#'
#' @keywords package
#'
#' @examples
#' ## Read a PDB file included in the package
#' x <- read.pdb(system.file("examples/PCBM_ODCB.pdb", package="Rpdb"))
#'
#' ## Visualize the PDB file
#' visualize(x, mode = NULL)
#'
#' ## From Cartesian to fractional coordinates and vice versa
#' x <- xyz2abc(x)
#' basis(x)
#' natom(x, x$atoms$resid)
#' range(x)
#' centres(x)
#' x <- abc2xyz(x)
#' basis(x)
#' natom(x, x$atoms$resid)
#' range(x)
#' centres(x)
#'
#' ## Split and unsplit
#' F <- x$atoms$resid
#' x <- split(x, F)
#' x <- unsplit(x, F)
#'
#' ## Subset and merge
#' x.PCB.only <- subset(x, resname == "PCB")
#' x.DCB.only <- subset(x, resname == "DCB")
#' x <- merge(x.PCB.only, x.DCB.only)
#'
#' ## Duplicate and wrap
#' x <- replicate(x, a.ind = -1:1, b.ind = -1:1, c.ind = -1:1)
#' x <- wrap(x)
#'
#' ## Write the 'pdb' object 'x' to a temporary file.
#' write.pdb(x, file = tempfile())
#'
#' @name Rpdb-package
NULL
Any scripts or data that you put into this service are public.
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.