[Rdkit-discuss] (no subject)

[Huw J. <huw...@gm...>]

Hi there,

I have recently installed RDKit on my Mac using the excellent guide at:

http://edc.github.com/homebrew-rdkit/

I had one issue though. When initially trying to create depictions using:

from rdkit import Chem
from rdkit.Chem import Draw

mol = Chem.MolFromSmiles('c1ccncc1CC(=O)O')
Draw.MolToImageFile(mol,'test.png')


I was getting an error where the Image modules could not be found. I hade
to change a line
in /usr/local/lib/python2.7/site-packages/rdkit/sping/PIL/pidPIL.py

from:

import Image, ImageFont, ImageDraw

to:

from PIL import Image, ImageFont, ImageDraw

Then I got depictions however they were of a poor quality compared to those
documented elsewhere (
http://ctr.wikia.com/wiki/Depict_a_compound_as_an_image) via the same
method.

My question is am I using the wrong PIL or an outdated PIL (I did update
the PIL installed on my MacOS however that did not resolve the issue) or
something. The hack I used to fix the issue with no structures being
generated was not ideal after all?

Many thanks for any suggestions you might have about this.

Huw Jones