Hi Greg,
I encoutered an error in Draw.MolToFile in RDKit_2011_03_1. This error
never
occurs in RDKit_2010_12_1.
The following is a sample code.
-----------------
from rdkit.Chem import AllChem
from rdkit.Chem import Draw
smiles = 'c1ccccc1'
mol = AllChemMolFromSmiles(smiles)
AllChem.Compute2DCoords(mol)
Draw.MolToFile(mol,"benzene.png")
------------------
>Traceback (most recent call last):
> Draw.MolToFile(mol,"benzene.png")
> $RDBASE/rdkit/Chem/Draw/__init__.py", line 108, in MolToFile
> if useCAIRO or useAgg:
> NameError: global name 'useCAIRO' is not defined
If I understand correctly,
Line 108 of __init__.py should be "if useCairo or useAGG:" .
Is that correct?
Takanori Ohgaru, Ph.D.
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