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maxscheurer / pycontact

Analysis of non-covalent interactions in MD trajectories
https://pycontact.github.io/
GNU General Public License v3.0
51 stars 12 forks source link

Error: No module named 'MDAnalysis.core.Selection' #87

Open neginsafaei opened 2 years ago

neginsafaei commented 2 years ago

Hello I have installed Pycontact with the mentioned installation commands but I got the following error and I have Python 3 installed in my laptop also I can not find the zip file (pycontact-develop). I would be so thankful If you could help me.

pycontact Traceback (most recent call last): File "/home/safaei/anaconda3/bin/pycontact", line 5, in from PyContact.pycontact import main File "/home/safaei/anaconda3/lib/python3.8/site-packages/PyContact/pycontact.py", line 11, in from .gui.MainWindow import MainWindow File "/home/safaei/anaconda3/lib/python3.8/site-packages/PyContact/gui/MainWindow.py", line 18, in from .SasaWidgets import SasaWidget File "/home/safaei/anaconda3/lib/python3.8/site-packages/PyContact/gui/SasaWidgets.py", line 17, in from .Dialogues import TopoTrajLoaderDialog File "/home/safaei/anaconda3/lib/python3.8/site-packages/PyContact/gui/Dialogues.py", line 8, in from PyContact.core.ContactAnalyzer import Analyzer File "/home/safaei/anaconda3/lib/python3.8/site-packages/PyContact/core/ContactAnalyzer.py", line 20, in from .aroundPatch import AroundSelection File "/home/safaei/anaconda3/lib/python3.8/site-packages/PyContact/core/aroundPatch.py", line 7, in from MDAnalysis.core.Selection import * ModuleNotFoundError: No module named 'MDAnalysis.core.Selection'

Thanks a lot Negin Safaee

rjdespo commented 2 years ago

edit: following the fix here (https://github.com/maxscheurer/pycontact/issues/81) worked wonderfully. If you're looking for the development zip, go here: https://github.com/maxscheurer/pycontact

and make sure the drop down menu on the left hand side of your screen says develop. That way when you download the zip from the code dropdown, it's the correct one.

maxscheurer commented 2 years ago

Thanks @rjdespo for linking the related issue! I'm sorry the installation often causes this problem, which is due to the fact that I have not had the chance to thoroughly maintain this repo anymore..

danko057 commented 1 year ago

Using the development zip doesn't fix the problem. I still receive the same error. Is there any other way around to fix this? Thanks

maxscheurer commented 1 year ago

If you get the exact same error, you're still using an older version of PyContact. The culprit file has been removed more than two years ago 😄 Probably your environment still has an old version around and the re-install didn't update that one? (Explained also in #81.)