view.molecule.3d {rcdk} | R Documentation |
This function allows you to view a 3D molecular structure using the Jmol viewer. It is also possible to supply a script that Jmol will evaluate. Once the viewer window is shown, all the available Jmol commands and functionality is available
view.molecule.3d(molecule, ncol = 4, cellx = 200, celly = 200, script = NA)
molecule |
A jobjRef , list of jobjRef objects or character indicating the path to the structure
file |
ncol |
The number of columns if a grid is desired |
cellx |
The width of the grid cells |
celly |
The height of the grid cells |
script |
A character containing valid Jmol scripting commands |
If a jobjRef
is passed it should be a reference to an
IAtomContainer
object. In case the first argument is of class
character it is assumed to be a file and is loaded by the function.
This function can be used to view a single molecule or multiple
molecules. If a list
of molecule objects is supplied the
molecules are displayed as a grid of Jmol viewers. In case a file is
specified, it will display a single molecule or multiple molecules
depending on how many molecules are loaded.
Nothing
Rajarshi Guha (rguha@indiana.edu)
view.molecule.table
,
view.molecule.2d