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cch1999 / posecheck

Pose checks for 3D Structure-based Drug Design methods
MIT License
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About pc.calculate_interactions and complete environment config #1

Closed ZerinHwang03 closed 3 months ago

ZerinHwang03 commented 7 months ago

Dear authors, Thanks for sharing this amazing work. However, we met errors when we run pc.calculate_interactions(): 

Traceback (most recent call last):
File "/homre/miniconda3/envs/pc/lib/python3.8/site-packages/ loguru/_locks_machinery.py", line 29, in release_locks
def release locks():
File "/home/miniconda3/envs/pc/lib/python3.8/site-packages/gsd/_init__.py", line 24, in <lambda>
signal.signal(signal.SIGTERM，lambda n,f; sys.exit(1)
SystemExit: 1
Exception ignored in: <function release locks at 0x7fa895bcb940>
Traceback (most recent call last):File "/home/miniconda3/envs/pc/lib/python3.8/site-packages/loguru/_locks_machinery.py", line 29,in release_locks
def release locks():
File "/home/miniconda3/envs/pc/lib/python3.8/site-packages/gsd/ init .py", line 24,in <lambda>
signal.signal(signal.SIGTERM,lambda n,f: sys.exit(1))
SystemExit: 1

Can you suggest what to do?

And could you please provide the complete environment configs of posecheck? that would be helpful.

cch1999 commented 5 months ago

Hi Zerin

Thanks for your kind words and sorry for the delay in replying to your issue. I have not encountered that problem before but will look into it. (Although I suspect your python may be too old).

In the meantime, I have pushed the full environment config to the main branch.

Charlie

ZerinHwang03 commented 3 months ago

Hi Zerin

Thanks for your kind words and sorry for the delay in replying to your issue. I have not encountered that problem before but will look into it. (Although I suspect your python may be too old).

In the meantime, I have pushed the full environment config to the main branch.

Charlie

Thank you for your response.