Fixed on trunk. The code to update stereo objects was missing from
AddHydrogens().
- Noel
On 29 November 2011 11:17, JP wrote:
> Using OpenBabel 2.3.1, on Ubuntu Linux 10.10
>
> Using the attached *seemingly unsuspect and correct* sdf file - zzz.sdf.
>
> Converting this file to smiles:
>
> $ oba
Looks like a bug. Not sure how I missed this one. I'll look into it asap.
- Noel
On 29 November 2011 11:17, JP wrote:
> Using OpenBabel 2.3.1, on Ubuntu Linux 10.10
>
> Using the attached *seemingly unsuspect and correct* sdf file - zzz.sdf.
>
> Converting this file to smiles:
>
> $ obabel zzz.s
Using OpenBabel 2.3.1, on Ubuntu Linux 10.10
Using the attached *seemingly unsuspect and correct* sdf file - zzz.sdf.
Converting this file to smiles:
$ obabel zzz.sdf -osmi -Ozzz.smi
2 molecules converted
Gives us the expected and correct result:
$ more zzz.smi
C[C@@H](N)C(=O)OAla1
C[C@
