I know that assigning R and S to 3D molecules is too complex a task for Jmol but I wondered what programs are available for doing this. The .mol file format has the ability to describe both 3D coordinates as well as bonding so is there a program that can read a structure in that format and assign the stereocenters?
Platon will do some but it isn't a general solution since the bonding isn't explicit and the assignment rules are not fully implemented (IOW it makes mistakes). I have the luxury of having access to non-commercial proprietary software to do this but is there something more generally available, either free or not too costly, I could recommend to others? Rich ------------------------------------------------------------------------------ Got Input? Slashdot Needs You. Take our quick survey online. Come on, we don't ask for help often. Plus, you'll get a chance to win $100 to spend on ThinkGeek. http://p.sf.net/sfu/slashdot-survey _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
