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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.
The text was updated successfully, but these errors were encountered:
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?
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.
The text was updated successfully, but these errors were encountered: