Hi Uwe, thanks for your answer. Good to know that the problem is specific to the version of the PIL library in use.
On Sat, Aug 7, 2010 at 12:11 AM, Uwe Hoffmann <[email protected]> wrote: > [...]. As a temporary workaround you can try : > > from rdkit.Chem.AllChem import MolFromSmiles, Compute2DCoords > from rdkit.Chem.Draw import MolToFile > molecule = MolFromSmiles('c1ccccc1') > Compute2DCoords(molecule) > MolToFile(molecule,'img.png', size=(250, 250), #img.pdf,img.svg,img.ps > kekulize=True, wedgeBonds=True, > highlightAtoms=[]) > > > In this case you circumvent PIL (and agg) completely. thanks, I will try this. > > The functionality of MolToFile should be folded into MolToImageFile. > The problem with MolToImage is still open in this case. After some reading of the PIL documentation I was wondering if splitting the image into bands, swapping the two colors "manually" and merging the bands back into a single image could represent a decent workaround when the PIL version is <= 1.1.6. Do you think it would be critically inefficient? Regards, Riccardo ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
