Dear CDK users/developers, I have molecules in SMILES format.
Is there any way to perceive if atoms around a double bond are in cis or trans position to each other without generating 2D coordinates? Since the information is in the SMILES string I assume this should be possible in some way. best regards, Patrik Rydberg ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
