Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed

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

Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed

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

Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed

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"

Re: [Open Babel] Openbabel 2.4.1 reading MOL file with radicals failed

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?