ModuleNotFoundError: No module named 'MDAnalysis.core.Selection'

[GLamprinidis]

I have installed Pycontact as suggested from the Installiona Guilde:

pip3.9 install cython
pip3.9 install pycontact PyQt5

I am running Centos 8

When i run oycontact i get the followinfg message:
----------------------Traceback (most recent call last):
File "/usr/local/bin/pycontact", line 33, in
sys.exit(load_entry_point('pycontact==1.0.4', 'console_scripts', 'pycontact')())
File "/usr/local/bin/pycontact", line 25, in importlib_load_entry_point
return next(matches).load()
File "/usr/lib64/python3.9/importlib/metadata.py", line 77, in load
module = import_module(match.group('module'))
File "/usr/lib64/python3.9/importlib/init.py", line 127, in import_module
return _bootstrap._gcd_import(name[level:], package, level)
File "", line 1030, in _gcd_import
File "", line 1007, in _find_and_load
File "", line 986, in _find_and_load_unlocked
File "", line 680, in _load_unlocked
File "", line 790, in exec_module
File "", line 228, in _call_with_frames_removed
File "/usr/local/lib64/python3.9/site-packages/PyContact/pycontact.py", line 11, in
from .gui.MainWindow import MainWindow
File "/usr/local/lib64/python3.9/site-packages/PyContact/gui/MainWindow.py", line 18, in
from .SasaWidgets import SasaWidget
File "/usr/local/lib64/python3.9/site-packages/PyContact/gui/SasaWidgets.py", line 17, in
from .Dialogues import TopoTrajLoaderDialog
File "/usr/local/lib64/python3.9/site-packages/PyContact/gui/Dialogues.py", line 8, in
from PyContact.core.ContactAnalyzer import Analyzer
File "/usr/local/lib64/python3.9/site-packages/PyContact/core/ContactAnalyzer.py", line 20, in
from .aroundPatch import AroundSelection
File "/usr/local/lib64/python3.9/site-packages/PyContact/core/aroundPatch.py", line 7, in
from MDAnalysis.core.Selection import *
ModuleNotFoundError: No module named 'MDAnalysis.core.Selection'

The installed packages are:
Package Version

---

attrs 21.2.0
biopython 1.79
cffi 1.14.3
chardet 3.0.4
cryptography 3.3.1
cycler 0.11.0
Cython 0.29.24
GridDataFormats 0.6.0
gsd 2.5.0
hypothesis 6.24.2
idna 2.10
iniconfig 1.1.1
joblib 1.1.0
kiwisolver 1.3.2
lxml 4.6.2
matplotlib 3.4.3
MDAnalysis 2.0.0
MDAnalysisTests 2.0.0
mmtf-python 1.1.2
mod-wsgi 4.7.1
msgpack 1.0.2
networkx 2.6.3
numpy 1.19.4
packaging 21.2
pandas 1.3.4
Pillow 8.4.0
pip 20.2.4
pluggy 1.0.0
ply 3.11
psutil 5.8.0
psycopg2 2.8.6
py 1.11.0
pycontact 1.0.4
pycparser 2.20
PyMySQL 0.10.1
pyparsing 2.4.7
PyQt5 5.15.6
PyQt5-Qt5 5.15.2
PyQt5-sip 12.9.0
PySocks 1.7.1
pytest 6.2.5
python-dateutil 2.8.2
pytz 2021.3
PyYAML 5.4.1
requests 2.25.0
scipy 1.5.4
seaborn 0.11.2
setuptools 50.3.2
six 1.15.0
sortedcontainers 2.4.0
threadpoolctl 3.0.0
toml 0.10.1
tqdm 4.62.3
urllib3 1.25.10
wheel 0.35.1

and my PYTHONAPATH variable is
PYTHONPATH=/usr/lib64/python3.9/:/usr/local/lib64/python3.9

Can you advise me how to troubleshoot the error?

Thank you in advance
Dr George Lamprinidis

[christos-efthymiou]

I am experiencing this same exact problem so a solution would be much appreciated!

[bhavranek]

I am also having the same issue. I wonder if it is no longer supported?

[bhavranek]

#81

Follow this closed issue. It worked for me. Download the zip file (pycontact-develop) instead of going through pip or clone the repository.

[maxscheurer]

Resolved in #81