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[Bug]: help me understand use of pyKVFinder #61
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Hi @pippo1990, It seems like you're encountering an ImportError because you're trying to import the pyKVFinder module incorrectly. To run the cavity detection workflow, you should import it as follows: from pyKVFinder import run_workflow The pyKVFinder module itself doesn't exist, which is why you're getting the ImportError. Once you've imported import os
import pyKVFinder
from pyKVFinder import run_workflow
pdb = os.path.join(os.path.dirname(pyKVFinder.__file__), 'data', 'tests', '1FMO.pdb')
results = run_workflow(pdb)
results.export() This should allow you to run the cavity detection workflow without any issues. For more detailed information on how to use pyKVFinder and its features, please refer to the official tutorial: pyKVFinder Tutorial. If you encounter any further issues or have additional questions, please feel free to ask for assistance. |
Hi @jvsguerra , this is what I expected, the : >>> from pyKVFinder import pyKVFinder
>>> import os
>>> pdb = os.path.join(os.path.dirname(pyKVFinder.__file__), 'data', 'tests', '1FMO.pdb')
>>> results = pyKVFinder(pdb)
>>> results.export() is in your main.py code : Line 472 in e1a7902
Line 516 in e1a7902
Line 571 in e1a7902
Line 634 in e1a7902
I dont know how to issue a pull request though, just to let you Know that your documentation contain bugs Cheers P. |
Thank you, @pippo1990, for bringing this to my attention. I appreciate your willingness to contribute to improving the documentation. These outdated code snippets can indeed be confusing for users, so it's crucial to keep our documentation accurate and up to date. No worries. I've opened and merged PR #62 to address these inconsistencies. If you encounter any further issues or have additional questions, please feel free to ask for assistance. |
👍 |
@pippo1990, I am closing this issue for now. |
Bug summary
In pyKVFinder/pyKVFinder/main.py I have as an example of how to run it:
and this works fine with me; but then I have multiple instances of :
and this fails to me with : ImportError: cannot import name 'pyKVFinder' from 'pyKVFinder'
what am I doing wrong ?
Code for reproduction
Actual outcome
Expected outcome
run flawless like with:
Additional information
No response
Operating system
No response
Python version
No response
pyKVFinder Version
0.6.1
Numpy Version
No response
Jupyter version
No response
Installation
pip
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