[Rdkit-discuss] RDKit database cartridge question

2014-07-29 Thread acanada
Hello, I have a postgres table with compound names and other info. I want to save also .mol or .sdf information associated to this compounds. I'm getting the structure information from the chebi web service and I assume that I have to save this info in some way in order to enable the

Re: [Rdkit-discuss] undefined reference to `yysmarts_debug' ?

2014-07-29 Thread Greg Landrum
Hi Michal, On Tue, Jul 29, 2014 at 4:09 PM, Michał Nowotka mmm...@gmail.com wrote: Hi, I wanted to recompile my local rdkit instance to enable Inchi support. Unfortunately I got these errors: ../../lib/libSmilesParse.so.1.2012.09.1: undefined reference to `yysmarts_debug'

Re: [Rdkit-discuss] undefined reference to `yysmarts_debug' ?

2014-07-29 Thread Michał Nowotka
Running cmake from scratch didn't help... OK, so correct bison version is 2.7.1 (I have 2.4.1), what about flex (I have 2.5.35)? On Tue, Jul 29, 2014 at 3:30 PM, Mikolaj Kowalik mx...@psu.edu wrote: On Tue, 29 Jul 2014 15:09:48 +0100 Michał Nowotka mmm...@gmail.com wrote: I wanted to

Re: [Rdkit-discuss] undefined reference to `yysmarts_debug' ?

2014-07-29 Thread Mikolaj Kowalik
On Tue, 29 Jul 2014 16:05:41 +0100 Michał Nowotka mmm...@gmail.com wrote: Running cmake from scratch didn't help... OK, so correct bison version is 2.7.1 (I have 2.4.1), what about flex (I have 2.5.35)? The author of the thread I mentioned previously, had flex 2.5.37 and got 2013.06.1 version

Re: [Rdkit-discuss] undefined reference to `yysmarts_debug' ?

2014-07-29 Thread Michał Nowotka
Fair enough, thanks! On Tue, Jul 29, 2014 at 4:35 PM, Mikolaj Kowalik mx...@psu.edu wrote: On Tue, 29 Jul 2014 16:05:41 +0100 Michał Nowotka mmm...@gmail.com wrote: Running cmake from scratch didn't help... OK, so correct bison version is 2.7.1 (I have 2.4.1), what about flex (I have

Re: [Rdkit-discuss] RDKit database cartridge question

2014-07-29 Thread Jan Holst Jensen
On 2014-07-29 12:17, acanada wrote: Hello, I have a postgres table with compound names and other info. I want to save also .mol or .sdf information associated to this compounds. I'm getting the structure information from the chebi web service and I assume that I have to save this info in