Dear Greg,
Le 08/06/2015 23:51, Greg Landrum a écrit :
My guess, and this is hard to test, is that the problem is somehow due
to the fact that you have both PIL and pillow installed.
A quick experiment would be to try uninstalling PIL.
Your guess was correct. I uninstalled PIL and Pillow
and reinstalled Pillow.
The structure of benzene appeared as expected.
Many thanks !!
Jean-Marc
-greg
On Monday, June 8, 2015, Jean-Marc Nuzillard
<jm.nuzill...@univ-reims.fr <mailto:jm.nuzill...@univ-reims.fr>> wrote:
Dear Greg,
Le 08/06/2015 04:41, Greg Landrum a écrit :
On Sun, Jun 7, 2015 at 10:44 PM, Jean-Marc Nuzillard
<jm.nuzill...@univ-reims.fr
<javascript:_e(%7B%7D,'cvml','jm.nuzill...@univ-reims.fr');>> wrote:
Hello,
I just installed RDKit on Windows7, with the intention of
using it from IPython.
I installed python 2.7 for AMD64 (the one distributed by
ActiveState).
If you're just getting started with python on windows, I would
*strongly* suggest using anaconda (http://continuum.io/downloads)
instead of ActiveState python. Anaconda is a very well supported
scientific python distribution. It also makes it extremely easy
to install the RDKit (https://conda.binstar.org/rdkit).
Thanks for the advice.
---------------------------------------------------------------------------
KeyError Traceback (most recent call
last)
...snip ...
KeyError: 'PNG'
I installed a lot of python modules recently :-)
Any idea about the one I missed?
This error is usually due to the fact that libpng is missing on
the system or was not compiled into PIL/Pillow.
On Windows I believe that the latter is more likely to be the case.
I installed PIL 1.1.7 from http://www.pythonware.com/products/pil/
(PIL-1.1.7.win-amd64-py2.7.exe),
most probably because the simple "pip install PIL" I tried first
did not work.
I also installed pillow from
http://www.lfd.uci.edu/~gohlke/pythonlibs/
<http://www.lfd.uci.edu/%7Egohlke/pythonlibs/>
(Pillow-2.8.2-cp27-none-win_amd64.whl).
The commands:
/import rdkit//
//from PIL import Image//
//im = Image.open('test.png')//
//im.save('out.png', format='PNG')//
/
operate as expected (from a recent mail by Paul Emsley).
The PIL I installed seems to support the PNG format.
This stackoverflow question makes it look like there's a problem
with the activestate pil build and that you will need to install
that yourself from another place:
http://stackoverflow.com/questions/7616987/pil-png-activestate-on-windows-7-zlib-png-zip-support-not-available
-greg
All the best,
Jean-Marc
--
Jean-Marc Nuzillard
Institut de Chimie Moléculaire de Reims
CNRS UMR 7312
Moulin de la Housse
CPCBAI, Bâtiment 18
BP 1039
51687 REIMS Cedex 2
France
Tel : 03 26 91 82 10
Fax : 03 26 91 31 66
http://www.univ-reims.fr/ICMR
http://www.univ-reims.fr/LSD/
http://www.univ-reims.fr/LSD/JmnSoft/
--
Jean-Marc Nuzillard
Institut de Chimie Moléculaire de Reims
CNRS UMR 7312
Moulin de la Housse
CPCBAI, Bâtiment 18
BP 1039
51687 REIMS Cedex 2
France
Tel : 03 26 91 82 10
Fax : 03 26 91 31 66
http://www.univ-reims.fr/ICMR
http://www.univ-reims.fr/LSD/
http://www.univ-reims.fr/LSD/JmnSoft/
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