Re: [Open Babel] substructure classification

2012-12-09 Thread Chris Morley
On 08/12/2012 21:32, David van der Spoel wrote: > On 2012-12-08 17:42, Noel O'Boyle wrote: >> C:\Users\Noel>obabel -:c1(Br)cc(Br)ccc1 -ofpt -xf fp4 -xs >>> >> Arylbromide Aromatic >> 1 molecule converted >> > Great, I can reproduce that. > Is there a simple way of getting this functionality fro

Re: [Open Babel] Problems with binding Python

2012-12-09 Thread elikbelik
I tryed using the latest release of swig (2.0.8) and compile everything from scratch and still got the problem. I am using python 2.7.3. -- View this message in context: http://forums.openbabel.org/Problems-with-binding-Python-tp4655705p4655766.html Sent from the General discussion mailing list

Re: [Open Babel] substructure classification

2012-12-09 Thread David van der Spoel
On 2012-12-09 11:36, Chris Morley wrote: > On 08/12/2012 21:32, David van der Spoel wrote: >> On 2012-12-08 17:42, Noel O'Boyle wrote: >>> C:\Users\Noel>obabel -:c1(Br)cc(Br)ccc1 -ofpt -xf fp4 -xs >>> Arylbromide Aromatic >>> 1 molecule converted >>> >> Great, I can reproduce that. >> Is t

Re: [Open Babel] substructure classification

2012-12-09 Thread Chris Swain
> > > -- > > Message: 2 > Date: Sat, 08 Dec 2012 14:51:44 +0100 > From: David van der Spoel > Subject: [Open Babel] substructure classification > To: openbabel-discuss@lists.sourceforge.net > Message-ID: <50c345f0.4070...@xray.bmc.uu.se> > Content-Type: text/plain; c

Re: [Open Babel] substructure classification

2012-12-09 Thread David van der Spoel
On 2012-12-09 22:14, Chris Swain wrote: >> >> >> -- >> >> Message: 2 >> Date: Sat, 08 Dec 2012 14:51:44 +0100 >> From: David van der Spoel >> Subject: [Open Babel] substructure classification >> To: openbabel-discuss@lists.sourceforge.net >> Message-ID: <50c345f0.4070..