There is a more recent build of the docs at
https://open-babel.readthedocs.io/en/latest/, but it really should be
available on our main website.
On 27 April 2018 at 01:49, dfjk-123 wrote:
> Thanks for your reply.
> When I read openbabel document, I just find the 2.3.1 version. (
> http://openba
In relation to the original question, I've just checked, and the current
behaviour of Open Babel is in keeping with the current behaviour of BIOVIA
Draw, the inheritors of the MOL file format.
Regards,
- Noel
On 29 April 2018 at 08:06, Noel O'Boyle wrote:
> There is a more recent build of the d
Thanks for your reply.
When I read openbabel document, I just find the 2.3.1 version.
(http://openbabel.org/docs/current/ )
So, where can I get the document of 2.4.1?
Best,
Baohua
At 2018-04-26 22:16:44, "Craig James" wrote:
The problem is that there is no "correct" answer to your question
The problem is that there is no "correct" answer to your question. The
specifications for the MOL format doesn't include a clear definition of the
assumed valence of each atomic element. So when you specify 5 hydrogens in
the file instead of six, but no "M RAD" line, does it mean it's a radical?
Or
Hi, there
Now, I'm using openbabel 2.4.1 to convert MOL file with radicals to SMILES.
According to the openbabel document, I use the example showed in this page
(http://openbabel.org/docs/2.3.0/Features/Radicals.html), but when I try to
convert the MOL file with explicit hydrogen to SMILES,
Hi, there
Now, I'm using openbabel 2.4.1 to convert mol file with radicals to smiles.
Accordting to the openbabel document, I use the exmaple showed in this page
(http://openbabel.org/docs/2.3.0/Features/Radicals.html), but when I try to
convert the MOL file with explicit hydrogen to SMILES
