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
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