Re: [Rdkit-devel] InChI 1.05

2017-02-24 Thread Igor Filippov
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

Re: [Rdkit-devel] InChI 1.05

2017-02-24 Thread 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

Re: [Rdkit-devel] InChI 1.05

2017-02-23 Thread Igor Filippov
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

Re: [Rdkit-devel] InChI 1.05

2017-02-23 Thread Gianluca Sforna
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