To try it out, enter an InChI such as that for morphine
or its enantiomer
or this taxol MOL file (with amide fixing)
or this AuxInfo or provide a SMILES.
Go ahead and reverse the sign of one or more of the stereochemical indicators such as "13-" to "13+". Fun, huh?
And, of course, you can drop your own MOL, CDX, or CDXML file into the OCL editor, or just modify the structure that is there.
It should immediately update both the InChI and the CDK images.
Many thanks to John Mayfield, Daniel Lowe, Jonathan Goodman, and others for assisting us in getting all these
pieces working together. Interns Josh Charlton and Swagat Malla assisted in this project. Questions? Talk to me.
Bob Hanson.