How to change CIS/TRANS info

Hi:





I need to set CIS/TRANS info for a double bond, and tried to use setFlags() function like below but failed. As a result, "C/T?" was display for the double bond.





if(bond.getType()==2)


{





bond.setFlags((bond.getFlags() & ~MolBond.STEREO_MASK) | StereoConstants.CIS);





}


Can you kindly describe, in an example, how to use setFlags functions with Stero_MASK? The bottom line is not to display "C?T?" message in a molecule.


Thanks a lot


Hongzhou

Hi,


I have attached a sample code to change CIS/TRANS information of a double bond. Please note that the double bond flag is changed after the molecule has been transformed to 0D. Then the molecule is cleaned to 2D.





Don't hesitate to ask question, if something is not clear enough.

I got it and thanks a lot.