Hi Hari,
On Wed, Jan 12, 2011 at 12:59 AM, hari jayaram <[email protected]> wrote:
> Hi
> I just did a new install of the RDKit_2010_12_1beta3 using cmake on ubuntu
> 10.04
> When I try the Draw.MolToImageFile from the test code in the wiki
> (http://code.google.com/p/rdkit/wiki/Creating2DPictures) from inside
> python2.6.5 I get the following error
> Do I need to update numpy to avoid this error
I just modified the code so that it not longer requires the newest
version of numpy.
This is in svn now and will be in the release.
Thanks for the bug report,
-greg
>>>> mol = Chem.MolFromSmiles("c1ccncc1CC(=O)O")
>>>> Draw.MolToImageFile(mol,'test.png')
> Traceback (most recent call last):
> File "<stdin>", line 1, in <module>
> File "/home/hari/RDKit_2010_12_1beta3/rdkit/Chem/Draw/__init__.py", line
> 110, in MolToImageFile
> img =
> MolToImage(mol,size=size,kekulize=kekulize,wedgeBonds=wedgeBonds,highlightAtoms=highlightAtoms)
> File "/home/hari/RDKit_2010_12_1beta3/rdkit/Chem/Draw/__init__.py", line
> 52, in MolToImage
> drawer.AddMol(mol,highlightAtoms=highlightAtoms)
> File "/home/hari/RDKit_2010_12_1beta3/rdkit/Chem/Draw/MolDrawing.py", line
> 412, in AddMol
> dist2 = d.dot(d)
> AttributeError: 'numpy.ndarray' object has no attribute 'dot'
>
> Thanks for your help
> Hari
>
>
>
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