On 16 August 2011 16:04, Tim Vandermeersch wrote:
> Hi Noel,
>
> On Tue, Aug 16, 2011 at 1:43 PM, Noel O'Boyle 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):
>
Hi Noel,
On Tue, Aug 16, 2011 at 1:43 PM, Noel O'Boyle 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
> C(Br)(I)([12C
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 (someho
