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
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
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