User 9b067d2e85
27-02-2014 23:28:57
I was looking at the StereoCheckUtility to identify unspecified stereo centers in a molecule and found:
getNotAbsoluteRSChiralCenters(mol)
getUndefinedrsChiralCenters(mol)
I'm curious exactly what the difference is between R/S and r/s. Do I need to check for both?
http://www.chemaxon.com/jchem/doc/dev/java/api/chemaxon/checkers/StereoCheckUtility.html
Thanks.