Can JUMBO draw 2-D molecular structures?
CML can hold 2-D molecular information in a variety of ways: • Connection tables • SMILES • 2-D coordinates JUMBO is able to use the 2-D coordinates to draw diagrams, and a connectionTable to 2-D diagram tool is under way. At present JUMBO cannot convert SMILES to a connection table (because I’m planning the architecture of the classes). Remember that JUMBO is not intended to duplicate systems which already exist. It’s likely that the 2-D display will evolve to select atom and bond picking because these will be essential for markup, and it might evolve some simple editing tools for the same reason.
