Dear all, I want to thank you again: combining Andrew and Craig answer, I was able to go a step further and convert e.g. a urea into :
[CH3][CH2][C,N,O][C,N,O][C,N,O] which is exactly the kind of smarts I wanted for my analogs search. At least at this stage of my reflexion :) Regards, Pascal ------------------------------------------------------------------------------ Special Offer-- Download ArcSight Logger for FREE (a $49 USD value)! Finally, a world-class log management solution at an even better price-free! Download using promo code Free_Logger_4_Dev2Dev. Offer expires February 28th, so secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsight-sfd2d _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
