draw.molecule {rcdk} | R Documentation |
This function allows you to draw a 2D structure and obtain the resultant
structure as a Molecule
object. Note that the structure that is
returned contains only 2D coordinates
draw.molecule(molecule = NA)
molecule |
A CDK IAtomContainer object. If specified, then
the editor is loaded with the molecule. If NA , the editor
will be blank |
A list
of Molecule
objects
Rajarshi Guha (rguha@indiana.edu)
view.molecule.table
,
view.molecule.3d
,
view.molecule.2d