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Code does not work under python2 #5

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KramerChristian opened this issue Aug 8, 2019 · 2 comments
Open

Code does not work under python2 #5

KramerChristian opened this issue Aug 8, 2019 · 2 comments

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@KramerChristian
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I just tried to run the code under python2. When doing so, I get an AttributeError

Traceback (most recent call last):
File "entry-cli-master/calc_props.py", line 395, in
main()
File "entry-cli-master/calc_props.py", line 36, in main
properties = average_properties(mol)
File "entry-cli-master/calc_props.py", line 134, in average_properties
mols = run_confab(mol)
File "entry-cli-master/calc_props.py", line 216, in run_confab
pff.DiverseConfGen(rmsd_cutoff, conf_cutoff, energy_cutoff, confab_verbose)
AttributeError: 'OBForceField' object has no attribute 'DiverseConfGen'

I am not sure whether this is due to python2. But if the code does not work under python2, it would be helpful if this is stated in the README.

@KramerChristian
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I now tested it under python 3. It works there, so seems to be a specific python2 problem.

@bdrown
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bdrown commented Aug 16, 2019

Thanks for the feedback. That's an odd error that I haven't seen in my testing with python 2.7.3 Which versions of python and openbabel are you working with?

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