Behavior of getPossibleAtomCenteredStereoAtoms function

User 81a38f9467

14-06-2013 04:35:08

The getPossibleAtomCenteredStereoAtoms function returns the indices of two atoms for the input structure #1
OC1CCC(CC2=CC=CC=C2)CC1, which contains two stereogenic centers.  But the getPossibleAtomCenteredStereoAtoms function also returns the indices of two atoms
for the input structure #2 OC1CCN(CC2=CC=CC=C2)CC1, which contains zero stereogenic centers.  Since structure #2 has no stereogenic centers, I would have expected nothing to be returned by the function.


Either the output is wrong or I don't understand what this function is supposed to do.  Please help clarify the expected behavior.

ChemAxon 25dcd765a3

15-06-2013 07:03:33

You are absolutely right. #2 structure has no stereogenic centers. So you have found a bug. 


Thank you for the report we fix it soon. It seems that 6.1 release can contain the fix. 



ChemAxon d26931946c

27-06-2013 14:15:56

Hi,


I would like to inform you that we managed to fix this bug.


It will be available  in 6.1.


Regards,


Peter