Re: [OpenBabel-Devel] Gen2D screws up stereo?

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

Re: [OpenBabel-Devel] Gen2D screws up stereo?

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

Re: [OpenBabel-Devel] Gen2D screws up stereo?

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,