Hi Noel, I am trying to compare the absolute configuration of two compounds for the same 'stereo' center 'atoms'. for example, if I know the common stereo centers between two compounds (based on graph alignment) i want to know absolute R/S configurations at this stereo center. if you have module implementing CIP rule, it will be uselful. thanks.
best, shashi -- View this message in context: http://forums.openbabel.org/Reg-obchiral-output-issue-tp3599540p3602043.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ EditLive Enterprise is the world's most technically advanced content authoring tool. Experience the power of Track Changes, Inline Image Editing and ensure content is compliant with Accessibility Checking. http://p.sf.net/sfu/ephox-dev2dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
