Hello,
I am running 32-bit python2.7.11 with OpenBabel2.3.2a and
PIL-1.1.7.win32-py2.7 on 64-bt Windows 7. I have looked through various
posts here and as far as I know everything checks out. Here is the output of
my install tests.
Thanks for any ideas!
############# START TEST ###############
C:\Users\py-sfu>obabel -V
Open Babel 2.3.2 -- Oct 5 2012 -- 10:00:48
C:\Users\py-sfu>obabel -Hsdf
sdf MDL MOL format
Reads and writes V2000 and V3000 versions
Open Babel supports an extension to the MOL file standard
that allows cis/trans and tetrahedral stereochemistry to be
stored in 0D MOL files. The tetrahedral stereochemistry is
stored as the atom parity, while the cis/trans stereochemistry
is stored using Up and Down bonds similar to how it is
represented in a SMILES string. Use the ``S`` option
when reading or writing if you want to avoid storing
or interpreting stereochemistry in 0D MOL files.
Read Options, e.g. -as
s determine chirality from atom parity flags
The default setting for 2D and 3D is to ignore atom parity and
work out the chirality based on the bond
stereochemistry (2D) or coordinates (3D).
For 0D the default is already to determine the chirality
from the atom parity.
S do not read stereochemistry from 0D MOL files
Open Babel supports reading and writing cis/trans
and tetrahedral stereochemistry to 0D MOL files.
This is an extension to the standard which you can
turn off using this option.
T read title only
P read title and properties only
When filtering an sdf file on title or properties
only, avoid lengthy chemical interpretation by
using the ``T`` or ``P`` option together with the
:ref:`copy format <Copy_raw_text>`.
Write Options, e.g. -x3
3 output V3000 not V2000 (used for >999 atoms/bonds)
m write no properties
w use wedge and hash bonds from input (2D only)
S do not store cis/trans stereochemistry in 0D MOL files
A output in Alias form, e.g. Ph, if present
Specification at: http://www.mdl.com/downloads/public/ctfile/ctfile.jsp
C:\Users\py-sfu>dir "%BABEL_DATADIR%"\mr.txt 3 output V3000 not V2000 (used
for >999 atoms/bonds)
m write no properties
w use wedge and hash bonds from input (2D only)
S do not store cis/trans stereochemistry in 0D MOL files
A output in Alias form, e.g. Ph, if present
Specification at: http://www.mdl.com/downloads/public/ctfile/ctfile.jsp
C:\Users\py-sfu>dir "%BABEL_DATADIR%"\mr.txt
Volume in drive C is OS
Volume Serial Number is 2484-EBDD
Directory of C:\Users\py-sfu\AppData\Roaming\OpenBabel-2.3.2\data
10/03/2012 02:50 AM 4,295 mr.txt
1 File(s) 4,295 bytes
0 Dir(s) 350,120,988,672 bytes free
C:\Users\py-sfu> C:\Python27\python
Python 2.7.11 (v2.7.11:6d1b6a68f775, Dec 5 2015, 20:32:19) [MSC v.1500 32
bit (
Intel)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> import pybel
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
ImportError: No module named pybel
>>> mol = pybel.readstring("smi", "CC(=O)Br")
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
NameError: name 'pybel' is not defined
>>> ^Z
Volume in drive C is OS
Volume Serial Number is 2484-EBDD
Directory of C:\Users\py-sfu\AppData\Roaming\OpenBabel-2.3.2\data
10/03/2012 02:50 AM 4,295 mr.txt
1 File(s) 4,295 bytes
0 Dir(s) 350,120,988,672 bytes free
C:\Users\py-sfu> C:\Python27\python
Python 2.7.11 (v2.7.11:6d1b6a68f775, Dec 5 2015, 20:32:19) [MSC v.1500 32
bit (
Intel)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> import pybel
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
ImportError: No module named pybel
>>> mol = pybel.readstring("smi", "CC(=O)Br")
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
NameError: name 'pybel' is not defined
>>> ^Z
############# END TEST ###############
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