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
>>> 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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