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Traceback (most recent call last):
File "x.py", line 3, in <module>
mymol=pybel.readstring('smi','CCOC(=O)C')
File "/usr/local/lib/python2.7/site-packages/pybel.py", line 199, in readstring
raise ValueError("%s is not a recognised Open Babel format" % format)
ValueError: smi is not a recognised Open Babel format
Related to above, I received the same ValueError after installing openbabel/pybel Python bindings using an unofficial .whl from https://www.lfd.uci.edu/~gohlke/pythonlibs/#openbabel on a Windows (11) machine (Python 3.9; pip install openbabel did not work). The apparent reason for the pybel ValueError was that after installing openbabel 3.1.1 on Windows (GUI version), there is an environment variable BABEL_DATADIR set under the Windows environment variables. Deleting or renaming that variable entry solved the "ValueError: smi is not a recognised Open Babel format" issue.
This script fails:
But when queried, it says that
smiis supported:Downstream FreeBSD bug report: https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=194599
Version 2.4.1 on FreeBSD 11.2 installed from the port.
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