Well, at least you said something important: "conversion of InChI to molecules is something that's not in general guaranteed to work perfectly" - and this is by design like this because InChI is an identifier, not a molecule representation. Unfortunately, many people seemed to forget about this :-)
On Thu, Feb 19, 2015 at 6:59 AM, Greg Landrum <greg.land...@gmail.com> wrote: > > On Wed, Feb 18, 2015 at 7:01 PM, Igor Filippov <igor.v.filip...@gmail.com> > wrote: >> >> > update the bug report and work on tracking down the wrong problem >> >> That's how I sometimes do it too... ;) > > > I'll leave it as an exercise to the reader to decide if that was > intentional, the fault of auto-correct, or just because it had been a long > day. ;-) > > -greg > > > ------------------------------------------------------------------------------ > Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server > from Actuate! Instantly Supercharge Your Business Reports and Dashboards > with Interactivity, Sharing, Native Excel Exports, App Integration & more > Get technology previously reserved for billion-dollar corporations, FREE > http://pubads.g.doubleclick.net/gampad/clk?id=190641631&iu=/4140/ostg.clktrk > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > ------------------------------------------------------------------------------ Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Server from Actuate! Instantly Supercharge Your Business Reports and Dashboards with Interactivity, Sharing, Native Excel Exports, App Integration & more Get technology previously reserved for billion-dollar corporations, FREE http://pubads.g.doubleclick.net/gampad/clk?id=190641631&iu=/4140/ostg.clktrk _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
