[OpenBabel-Devel] GIVector and Isotopes

2011-08-16 Thread Noel O'Boyle
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

Re: [OpenBabel-Devel] GIVector and Isotopes

2011-08-16 Thread Tim Vandermeersch
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