Hi Tim,
Following up on the report by Robert Kiss, I see that isotopes are not
differentiated in the symmetry classes returned by FindSymmetry (using
OBGraphSym):
obabel -:[C@](Br)(I)([12CH3])[14CH3] -osmi
C(Br)(I)([12CH3])[14CH3]
It seems that this would be fixed if I added the isotope
Hi Noel,
On Tue, Aug 16, 2011 at 1:43 PM, Noel O'Boyle baoille...@gmail.com wrote:
Hi Tim,
Following up on the report by Robert Kiss, I see that isotopes are not
differentiated in the symmetry classes returned by FindSymmetry (using
OBGraphSym):
obabel -:[C@](Br)(I)([12CH3])[14CH3] -osmi