Hi Chris,
Re:
http://openbabel.svn.sourceforge.net/viewvc/openbabel?view=revisionrevision=4718
I added --highlight as discussed in comments at
http://baoilleach.blogspot.com/2012/02/portrait-of-molecule-as-green.html.
I was also missing this. I originally planned to edit opisomorph.cpp
to add
Vincent, did you hear anything about this in the end? I've been waiting to
hear more for several weeks now.
David
On 7 January 2012 14:25, Vincent Favre-Nicolin
vinc...@users.sourceforge.net wrote:
Le 07/01/2012 13:16, N David Brown a écrit :
I suppose we should ask: are there other
This is brilliant, thanks Noel
Cheers
Chris
Message: 7
Date: Sun, 4 Mar 2012 14:17:44 +
From: Noel O'Boyle baoille...@gmail.com
Subject: [OpenBabel-Devel] --highlight
To: Chris Morley c.mor...@gaseq.co.uk
Cc: Openbabel-DEV openbabel-devel@lists.sourceforge.net
Message-ID:
Dear David,
Sorry about a very slow follow-up indeed - I did not get any answer
about using OBAtom::SetTitle, but it turns out the virtual Get/SetTitle
method does nothing except for OBMolecule - hence the empty titles...
So I have instead used the OBPairData API to store the atom
Magnifique, thank you indeed for this addition and the clear description of
its use, Vincent :)
David
On 4 March 2012 21:46, Vincent Favre-Nicolin
vinc...@users.sourceforge.netwrote:
Dear David,
Sorry about a very slow follow-up indeed - I did not get any answer
about using
