Patches item #3526035, was opened at 2012-05-12 00:43
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It's intentional, rather than a bug. I originally had some code in there to
support stereo in 0D SDF, but the format really doesn't support this
officially - it's supposed to be either 2D or 3D. It's all very well for
cis/trans, but it's not possible to store tet stereo without coordinates
(which a
Sorry - I got things backward. It's storing the cis/trans stereochemistry
in a 0D format that's the problem. See the post and comments at
http://baoilleach.blogspot.com/2010/02/how-to-store-stereochemistry-in-mol.html
- Noel
On 12 May 2012 13:52, Noel O'Boyle wrote:
> It's intentional, rather t
Bugs item #3526145, was opened at 2012-05-12 12:31
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Bugs item #3526150, was opened at 2012-05-12 12:39
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On Wed, May 9, 2012 at 8:57 AM, Noel O'Boyle wrote:
> On 9 May 2012 13:22, David Lonie wrote:
>
>> On Wed, May 9, 2012 at 7:42 AM, David Lonie wrote:
>>
>>> On Wed, May 9, 2012 at 4:42 AM, Noel O'Boyle wrote:
>>>
In the OB docs, there's an example C++ program. Can you edit this so
that
