This problem (of InChI missing the stereo layer) seems to come down to line
303 of inchiformat.cpp:
if (mol.GetDimension() == 3 || (mol.GetDimension()==2 &&
pConv->IsOption("s", pConv->OUTOPTIONS)!=NULL))
TetStereoToWedgeHash(mol, updown, from);
If the molecule's dimension is set to 2,
On Wed, Oct 7, 2015 at 1:07 PM, Noel O'Boyle wrote:
> Are you using the dev version? If not, sounds like a problem I fixed
> earlier this year - see github closed issues from that period.
>
Noel, thanks for the suggestion. I downloaded and installed the latest code
from git, but it made no diffe
Are you using the dev version? If not, sounds like a problem I fixed
earlier this year - see github closed issues from that period.
- Noel
On 7 October 2015 at 20:22, Craig James wrote:
> Can anyone shed some light on this? If I use Gen2D and then try to write
> out an InChI, the stereo layer i
Can anyone shed some light on this? If I use Gen2D and then try to write
out an InChI, the stereo layer is wiped out.
#include
#include
#include
#include
#include
using namespace std;
using namespace OpenBabel;
/*--
* FU
