Hi, 2011/4/18 大軽貴典 <astronaut.g...@gmail.com>: > > 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?
Yes, that's correct. Thanks for catching it. I'll fix the SVN and do a second release of the RDKit later this week. Best Regards, -greg ------------------------------------------------------------------------------ Benefiting from Server Virtualization: Beyond Initial Workload Consolidation -- Increasing the use of server virtualization is a top priority.Virtualization can reduce costs, simplify management, and improve application availability and disaster protection. Learn more about boosting the value of server virtualization. http://p.sf.net/sfu/vmware-sfdev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
