This repo is for the creation of an HTMLWidget for visualizing moleules based on the ChemDoodle WebComponent library, the HTMLWidgets package, and the Chemistry Development Kit via rCDK
library(chemdoodle)
chemdoodle_viewer("C1CCCCC1")
chemdoodle_transform("C1CCCCC1")
chemdoodle_slideshow(c("C1CCCCC1", "CNCNCNC1CCCCC1"), 500,500, bondscale=15)
#experimetal/new features
# gets a molecuel from the chemdoodle sketcher
moljson <- drawMolecule()
# processed the Molecule JSON to a CDK AtomContainer - this can be saved,
# written to Smiles etc.
mol <- processChemDoodleJson(moljson)