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My question is am I using the wrong PIL or an outdated PIL (I did update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
------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
