It shouldn't be any different to CIP since those are the rules I was talking about however I was being super short! There very interesting research papers on the topic that I came across quite sometime ago. I am sure that with time I could get one for you.
However, the local connectivity should be a broad terms to refer to the atoms bounded to the central atom. Of course this is more complex because if the atoms immediately bounded to the central atom are equal then you need to go further down the chain until you have different atoms and the priority is given according the the atomic number. I haven't checked the wiki page but it should say something similar to this. Also, I have never written an algorithm like this so I'm speaking from a chemist point of view meaning that I don't use the term "local connectivity" -- View this message in context: http://forums.openbabel.org/stereo-config-question-tp4656879p4656993.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how application performance affects their revenue. With AppDynamics, you get 100% visibility into your Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
