Hi,
I am having a problem installing pybel in Windows XP. I am using
Windows XP SP3, have Python 2.7.1 installed on C:\, OpenBabel-2.3.0
installed on C:\ and installed the bindings via
openbabel-python-1.6.py27.exe. The OpenBabel GUI works fine,
BABEL_DATADIR is set to C:\OpenBabel-2.3.0\data and I can run through
the first two installation tests, babel -V and babel -Hsdf from Idle or
the command line with the expected results; but when I try the third test:
import pybel
mol = pybel.readstring("smi", "CC(=O)Br")
mol.make3D()
print(mol.write("sdf"))
I don't get the expected sdf description, I get
Traceback (most recent call last):
File "<pyshell#2>", line 1, in<module>
mol = pybel.readstring("smi", "CC(=O)Br")
File "C:\Python27\lib\site-packages\pybel.py", line 119, in readstring
raise ValueError("%s is not a recognised OpenBabel format" % format)
ValueError: smi is not a recognised OpenBabel format
Any help fixing the installation would be most appreciated.
Paul
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