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Error running cremdock script #66
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Did you remove output database after the first unsuccessful run? |
No I did not try that.I will try that and get back to you. |
This is the error i am facing now: from pkg_resources import resource_filename And this error is being displayed on loop multiple times |
This is a warning, not an error. So, I guess the generation runs fine. |
Okay |
The original issue DrrDom/crem#33
This is the command I entered:
% cremdock -i input.smi -o mode1_1.db -d chembl22_sa2_hac12.db --nclust 2 --max_replacements 2 --program vina --confi vina_config.yml -c 2
And the error I am facing:
/Users/vipraparekh/anaconda3/envs/thesis/lib/python3.9/site-packages/prolif/datafiles.py:3: DeprecationWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html
from pkg_resources import resource_filename
Traceback (most recent call last):
File "/Users/vipraparekh/anaconda3/envs/thesis/bin/cremdock", line 8, in
sys.exit(entry_point())
File "/Users/vipraparekh/anaconda3/envs/thesis/lib/python3.9/site-packages/cremdock/cremdock.py", line 282, in entry_point
args_dict, tmpfiles = eadb.restore_setup_from_db(args.output)
File "/Users/vipraparekh/anaconda3/envs/thesis/lib/python3.9/site-packages/easydock/database.py", line 105, in restore_setup_from_db
values = [v for v in res][0]
IndexError: list index out of range
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