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pablo-arantes / making-it-rain

Cloud-based molecular simulations for everyone
MIT License
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Install dependencies - Protein_ligand.ipynb #32

Closed KAO-KI closed 1 year ago

KAO-KI commented 1 year ago

when i install the dependencies i get this message :

WARNING:openff.toolkit.utils.toolkit_registry: Image 1 Warning: Unable to load toolkit 'OpenEye Toolkit'. The Open Force Field Toolkit does not require the OpenEye Toolkits, and can use RDKit/AmberTools instead. However, if you have a valid license for the OpenEye Toolkits, consider installing them for faster performance and additional file format support: https://docs.eyesopen.com/toolkits/python/quickstart-python/linuxosx.html OpenEye offers free Toolkit licenses for academics: https://www.eyesopen.com/academic-licensing WARNING:root:Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.

pablo-arantes commented 1 year ago

Hi @KAO-KI,

Did you try to run all the cells? I have tried here and everything worked fine for me. I had the same warning, but this is only a warning on the installation steps. All the necessary libraries are installed correctly.

Thank you.

Pablo

KAO-KI commented 1 year ago

Hi Pablo, yes I followed all the steps, I was afraid it was a mistake, I'll continue my simulation...thank you for your help...it's very reassuring.

Cordially.