Zhang-Runze
commented
5 months ago Thank you very much for your interest in PackDock! The get_pocket.py is an example. The address for the apo public benchmark dataset is http://huanglab.phys.hust.edu.cn/apo2holo/. Please download or use it according to their requirements. If you have any other questions, please contact me in time! Or you can also email me.
bwang-ecnu
Excellent work! When I installed the relevant environment running "python get_pocket/ get_pocke.py "I encountered the following error： python get_pocket/get_pocket.py Traceback (most recent call last): File "get_pocket/get_pocket.py", line 114, in
apolist = pd.read_csv(f"./apo2holo_datasets/{group}.list")
File "/home/software/Miniconda3/envs/packdock/lib/python3.8/site-packages/pandas/io/parsers/readers.py", line 912, in read_csv
return _read(filepath_or_buffer, kwds)
File "/home/software/Miniconda3/envs/packdock/lib/python3.8/site-packages/pandas/io/parsers/readers.py", line 577, in _read
parser = TextFileReader(filepath_or_buffer, **kwds)
File "/home/software/Miniconda3/envs/packdock/lib/python3.8/site-packages/pandas/io/parsers/readers.py", line 1407, in init
self._engine = self._make_engine(f, self.engine)
File "/home/software/Miniconda3/envs/packdock/lib/python3.8/site-packages/pandas/io/parsers/readers.py", line 1661, in _make_engine
self.handles = get_handle(
File "/home/software/Miniconda3/envs/packdock/lib/python3.8/site-packages/pandas/io/common.py", line 859, in get_handle
handle = open(
FileNotFoundError: [Errno 2] No such file or directory: './apo2holo_datasets/group3.list'.
Where can I find the "apo2holo_datasets" folder? Thank you!