ModuleNotFoundError: No module named 'core' / Thylakoid system building w/ martini3

[palbanese]

Hi,

i have been trying to use the script on both a WSL2 (Linux subsystem) and installed through anaconda (both via pip). I get the following error in both cases. I sourced the folder to the path, but also get the same error when running the script directly from the folder.

Traceback (most recent call last):
File "c:\users\pasca\anaconda3\lib\runpy.py", line 193, in run_module_as_main
"main", mod_spec)
File "c:\users\pasca\anaconda3\lib\runpy.py", line 85, in run_code
exec(code, run_globals)
File "C:\Users\pasca\AppData\Roaming\Python\Python37\Scripts\insane.exe_main.py", line 4, in
File "C:\Users\pasca\AppData\Roaming\Python\Python37\site-packages\insane_init.py", line 37, in
from core import *
ModuleNotFoundError: No module named 'core'

What I am trying to build is a system for the plant thylakoid membrane, it is already available in Martini2 ff (http://cgmartini.nl/index.php/all-files-needed-for-the-simulation-of-a-thylakoid-membrane). I do have the protein model produced with martinize3. The name of the lipids however changed (I cannot fine corresponding definitions in the "_lipid_data.py".

I ran the following command, guessing the lipid types with the new names:
insane -f m13_cg.pdb -o system.gro -p system.top -x 200 -y 300 -z 200 -l OPPG:5 -l JPPG:10 -l FPMG:5 -l DFMG:25 -l FPSG:5 -l FPGG:35 -l DFGG:15 -center -sol W -salt 0.01

In this zip folder the AA and the CG models.
mode13_Hok.zip

Thanks,
Pascal

[MaximZaigraev]

Hi!
There is actually an issue with INSANE program. You should manually replace from core import * with from .core import * in insane_init.py (in your case File "C:\Users\pasca\AppData\Roaming\Python\Python37\site-packages\insane_init.py")

[MaximZaigraev]

https://stackoverflow.com/questions/35330964/no-module-named-core-when-using-pyping-for-python-3

[andreashlarsen]

Hi.
I still get that error you mention above after installing insane with pip:

> sudo pip install insane
> insane
Traceback (most recent call last):
  File "/opt/anaconda3/bin/insane", line 5, in <module>
    from insane.cli import cli
  File "/opt/anaconda3/lib/python3.7/site-packages/insane/__init__.py", line 37, in <module>
    from core import *
ModuleNotFoundError: No module named 'core'

same error on my mac and linux computers.
I can see that "from core import *" has been been changed to "from .core import *" in insane/__init_.py on Github, but maybe the pip version is not updated? It looks like pip version is 1.0:

> pip show insane
Name: insane
Version: 1.0rc1

whereas Github version is 1.1.

can anyone (dis)confirm? and maybe update the pip version if this is the case?

thanks for a super-useful script!

/Andreas