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SeonghwanSeo / OpenPharmaco

Open-source protein-based pharmacophore modeling software
MIT License
15 stars 0 forks source link

not working #2

Closed sherifelsabbagh closed 4 months ago

sherifelsabbagh commented 4 months ago

Hi..

I installed the package and everything was fine until I tried to open it ..

A loading screen appears and then nothing happens. nothing opened.

my laptop is MacBook Air M1 2020

SeonghwanSeo commented 4 months ago

I test the OpenPharmaco on a MacBook Air M1 and MacBook Pro M2. I think there are two reasons: 1) during the loading screen, the Python libraries and packages are loaded - importing PyTorch can be the bottleneck. 2) Sometimes the model download popup window doesn't show up.

Can you wait some moments for the initial setting?

SeonghwanSeo commented 4 months ago

You can check the import time to see what the problem is.

python
> import torch

After the torch is imported, stop Python with Cmd+D and run OpenPharmaco. If the importing time was a problem, you can get a downloading pop-up window soon.

sherifelsabbagh commented 4 months ago

nothing changed.. downloading the library was fine. everything is fine until I try to open it. The screen appears and then disappears quickly

sherifelsabbagh commented 4 months ago

anyway thank you ..may be sth wrong with my laptop

sherifelsabbagh commented 4 months ago

I solved the problem..

it seems I need to install numpy and pymol by myself

SeonghwanSeo commented 4 months ago

@sherifelsabbagh oh, I found that the new version (v2.0.0) of numpy is released recently, and it conflicts to PyTorch.

Glad you were able to resolve it.

sherifelsabbagh commented 4 months ago

can I ask another question

Picture 1

This spheres correspond to hydrophobic feature.. however I see that they are not aligned with any atom in the ligand.. You get my point ?

I mean, these spheres should be located on one the ligand atoms which would form Hydrophobic interaction right ?