Greg,
Thank you for the kind words!
I should note that I am using a slightly older version of rdkit (half a
year to a year old), but I don't think it makes a difference as far as
InChI is concerned.
Best regards,
Igor
On Fri, Feb 24, 2017 at 8:43 AM, Greg Landrum
Thanks Igor! I was not looking forward to getting this working, so it's
great that someone else managed to.
I need to do a bit more tweaking in order to get the download to work using
the cmake code instead of the download_inchi.sh script, but I should be
done with that pretty quickly.
I'll have
I did run the tests and they went through just fine.
Igor
On Thu, Feb 23, 2017 at 8:47 AM, Gianluca Sforna wrote:
> On Thu, Feb 23, 2017 at 4:55 AM, Igor Filippov
> wrote:
> > As InChI 1.05 is officially out I've tinkered with RDKit build system a
On Thu, Feb 23, 2017 at 4:55 AM, Igor Filippov
wrote:
> As InChI 1.05 is officially out I've tinkered with RDKit build system a bit
> to include the new version. Two updated files - CMakeLists.txt and
> download-inchi.sh
> from External/INCHI-API/ are attached in case