Re: [Open Babel] obabel and fingerprints

2013-03-13 Thread Chris Morley
On 12/03/2013 11:28, Chris Swain wrote: Message: 4 Date: Sun, 10 Mar 2013 21:02:41 + From: Chris Morley c.mor...@gaseq.co.uk mailto:c.mor...@gaseq.co.uk Subject: Re: [Open Babel] obabel and fingerprints To: openbabel-discuss@lists.sourceforge.net mailto:openbabel-discuss

Re: [Open Babel] obabel and fingerprints

2013-03-12 Thread Chris Swain
Message: 4 Date: Sun, 10 Mar 2013 21:02:41 + From: Chris Morley c.mor...@gaseq.co.uk Subject: Re: [Open Babel] obabel and fingerprints To: openbabel-discuss@lists.sourceforge.net Message-ID: 513cf4f1.2000...@gaseq.co.uk Content-Type: text/plain; charset=ISO-8859-1; format=flowed

Re: [Open Babel] obabel and fingerprints

2013-03-10 Thread Chris Morley
On 10/03/2013 12:45, Chris Swain wrote: I'm moving to use obabel rather than babel and I'm having a few problems working out the syntax obabel /Users/swain/obsmiles.smiles -osmi -s c1c1 -xt Gives a list of 907 molecule names I've created the fastsearch index obabel