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.
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.