Greetings, I am using CDK to draw 2D chemical structures from SMILES strings and I would like to label branch-terminal atoms with their implicit hydrogen atoms using a numerical subscript. I already know how to calculate the implicit hydrogen atoms and I can draw the hydrogen atoms bonded to their parent, but I have not determined how to compact the representation to use a numerical subscript instead of explicit bonds. For example, I would like to display --CH3 instead of --C(--H)(--H)(--H) (please forgive my bad ASCII representations).
I did not find the answer in the forums, but I expect I was not using the best search terms to find the answer. Could someone point me in the right direction? Best regards, Steve ------------------------------------------------------------------------------ 10 Tips for Better Server Consolidation Server virtualization is being driven by many needs. But none more important than the need to reduce IT complexity while improving strategic productivity. Learn More! http://www.accelacomm.com/jaw/sdnl/114/51507609/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
