Comments (10)
Ok. I finally succeeded to properly install AMDock. I just have to use AMDock tutorial!
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I need to do the tests since I am not an expert in macOS. I remember that I spent a lot of work to get the pymol installation to work. I will test and let you know
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Thank you. On my side I think I am not far from being able to compile PyMOL from sources.
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Hi,
I finally succeeded to compile PyMOL with Conda package manager from PyMOL sources. However, I couldn't select Plugin-> Plugin Manager to install grid_amdock.py! I got an error window "No module named PyQt5.uic.
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You must make sure that you have PyQt5 installed in such a control environment.
python -m pip install pyqt5
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Tried to install AMDock and then compile pymol from the beginning in conda environnment. AMDock installation was ok. After installing dependencies (glew glm and netcdf4) compilation of pymol failed with at the end,
Traceback (most recent call last):
File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.10/multiprocessing/pool.py", line 268, in del
File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.10/multiprocessing/queues.py", line 377, in put
File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.10/multiprocessing/connection.py", line 205, in send_bytes
File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.10/multiprocessing/connection.py", line 405, in _send_bytes
AttributeError: 'NoneType' object has no attribute 'pack'
What does it mean?
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I do not have much information regarding this. I have not yet tested python 3.10 in production, so I am currently oblivious to what bugs it may have. Please tell me the specifics so I can try to reproduce the bug.
macOS Version.
PyMOL version and if it the open-source version
Please try using python 3.8 or 3.9 and see if you have the same problems. I will try to reproduce the problem as soon as possible.
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macOS Version: 10.13.6 High Sierra
PyMOL(TM) Molecular Graphics System, Version 2.6.0a0. Open Source version from https://github.com/schrodinger/pymol-open-source.
pymol compilation succeeded using python 3.9 with same error as previously. I can start pymol in AMDock env. However I couldn't start AMDock in AMDock env and I got
AMDock
Traceback (most recent call last):
File "/Users/xxxx/miniconda3/envs/AMDock/bin/AMDock", line 5, in
from AMDock.Docking_Program import run
File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.9/site-packages/AMDock/Docking_Program.py", line 9, in
from AMDock.result_tab import Results
File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.9/site-packages/AMDock/result_tab.py", line 9, in
from AMDock.variables import Variables
File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.9/site-packages/AMDock/variables.py", line 6, in
import AutoDockTools, pymol
ModuleNotFoundError: No module named 'pymol'
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how you solve the problem: ModuleNotFoundError: No module named 'pymol'.
macOS Version: 10.13.6 High Sierra PyMOL(TM) Molecular Graphics System, Version 2.6.0a0. Open Source version from https://github.com/schrodinger/pymol-open-source.
pymol compilation succeeded using python 3.9 with same error as previously. I can start pymol in AMDock env. However I couldn't start AMDock in AMDock env and I got AMDock Traceback (most recent call last): File "/Users/xxxx/miniconda3/envs/AMDock/bin/AMDock", line 5, in from AMDock.Docking_Program import run File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.9/site-packages/AMDock/Docking_Program.py", line 9, in from AMDock.result_tab import Results File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.9/site-packages/AMDock/result_tab.py", line 9, in from AMDock.variables import Variables File "/Users/xxxx/miniconda3/envs/AMDock/lib/python3.9/site-packages/AMDock/variables.py", line 6, in import AutoDockTools, pymol ModuleNotFoundError: No module named 'pymol'
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I had to move all builded/compiled modules (glew, glm, netcdf4, pmw, libpng, freetype, libxml2) with conda in AMDock site-packages folder (/Users/xxxxxxx/miniconda3/envs/AMDock/lib/python3.9/site-packages/ folder
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Related Issues (20)
- Protein ligand docking using AMDock was unsuccessful HOT 1
- Unable to execute HOT 18
- Problems running the shell script on ubuntu 20.04 HOT 3
- version `GLIBCXX_3.4.26' not found HOT 1
- error in Running Prepare_Receptor4... HOT 1
- New version unable to execute HOT 2
- error with prepare_receptor4 HOT 8
- AMDock macOS 10.13.6 issue
- 'Segmentation fault: 11' error when quit AMDock on macOS 12 HOT 1
- Unable to start AMDock HOT 2
- Could not use the docked output on WebGro for Dynamics
- please add M1 apple support HOT 2
- unable to install HOT 6
- Unable to install HOT 1
- TypeError: setValue(self, value: int): argument 1 has unexpected type 'float'
- Feature Request
- Fail to install on Ubuntu 22.04 using the OS Python 3 environment
- many versions of pymol not working HOT 1
- Docking ligands with exotic metals
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