[Open Babel] SMILES & SMARTS

Hello everybody, I am currently trying to generate SMARTS Patterns from an 'mol' or 'sdf' file using pybel. So far I haven't been able to succeed. Is it possible to convert Canonical-SMILES (which is possible) into SMARTS? Or can I use Canonical-SMILES with the pybel.smarts() module? I look forwar

Re: [Open Babel] Openbabel svn python bindings build failure

> I'm having trouble building the latest SVN release (trunk) of Openbabel (from > scratch) on Linux (CentOS 5.6). The build fails when it tries to build the > python bindings because of a -fPIC switch not present. Is there a cmake > option to allow me to turn this on? I think the biggest quest

Re: [Open Babel] SMILES & SMARTS

> I am currently trying to generate SMARTS Patterns from an 'mol' or 'sdf' file > using pybel. So far I haven't been able to succeed. > Is it possible to convert Canonical-SMILES (which is possible) into SMARTS? > Or can I use Canonical-SMILES with the pybel.smarts() module? > I look forward to y

Re: [Open Babel] Openbabel svn python bindings build failure

Many thanks Geoff Cmake (2.6 patch 4) was indeed the problem. I installed the latest version (2.8.7) and rebuilt. Everything OK now. Cheers, Ken On 18 Mar 2012, at 20:20, Geoff Hutchison wrote: >> I'm having trouble building the latest SVN release (trunk) of Openbabel >> (from scratch) on