On Tue, Apr 16, 2013 at 12:04 PM, Jeff Janes wrote:
>
>
> I'm using Open Babel 2.3.2 to canonicalize some SMILES strings.
>
> I thought that each fragment of a disconnected SMILES would be
> canonicalized separately (which I believe agrees what what is explained in
> http://openbabel.org/dev-api/
I've been trying to install pybel for Ipython on a Windows XP computer for
sometime. I've successfully installed OpenBabel-2.3.2 and IPython using
the Anaconda installer. PIL works fine. However, after installing any of
the bindings 2.7 up to 3.2 I get this error:
1 import pybel
...
C:\Anac
Hi,
The reason for canonicalizing the fragments seperatly is to determine their
position in the smiles. It was not intended to be used as your example
illustrates. However, I think the canonical codes should be the same. It
might be the case that the smiles format does something that causes a
diff
I'm using Open Babel 2.3.2 to canonicalize some SMILES strings.
I thought that each fragment of a disconnected SMILES would be
canonicalized separately (which I believe agrees what what is explained in
http://openbabel.org/dev-api/canonical_code_algorithm.shtml)
However, that is not the case in t
Thanks Noel, it works well.
Also i was interested in generating svg without background. I haven't
found any doc about it so i modified the svg text by replacing
fill="white" (or black) by fill="none" in the line :
|''|
Although it is not elegant, it works. Hope it will help others.
Le 14/0
