molconvert clean 3D undefined stereocenters

User fc80487671

18-07-2014 14:46:39


Hi,


What happens when molconvert 3D clean
is used on a molecule with undefined stereocenters? How are the
stereocenters defined?


Thanks,


Anna

ChemAxon 8b644e6bf4

07-08-2014 12:39:25

Dear Anna,


 


I have moved the question into the "Calculator Plugins & Chemical Terms".


There is no further consideration for undefined stereocenters. However when generating multiple conformers all the possible stereoisomers should be enumerated. However undefined stereocenters have no priority over other possible conformational changes.


 


Regards,


Gabor