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demo notebook in PyRosetta.notebooks #24

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lyskov opened this issue Sep 25, 2023 · 1 comment
Open

demo notebook in PyRosetta.notebooks #24

lyskov opened this issue Sep 25, 2023 · 1 comment

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@lyskov
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lyskov commented Sep 25, 2023

Hi Jason! I just noticed that py3Dmol can now used in Colab notebook (example code below) and it works! Would it be possible to add add recommended workflow into (new?) PyRosetta.notebooks notebook?
Thanks,

import pyrosetta;
import pyrosetta.distributed.io as io
import py3Dmol

pyrosetta.init()
pose = pyrosetta.pose_from_sequence('TESTTHISEPICLIFE')

view = py3Dmol.view(width=500, height=500)
view.addModel(io.to_pdbstring(pose),'pdb')
view.setStyle({'model': 0}, {"cartoon": {'color': 'red'}})
view.addStyle({'model': 0}, {"stick": True})
view.zoomTo()
view.show()
@klimaj
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klimaj commented Sep 26, 2023

Hi @lyskov , thanks! The viewer3d package should already work in Colab notebooks (see here). This is good to know since perhaps the interface has changed. Yes, I'd like to add Jupyter notebook examples herein (see #19). I think the PyRosetta.notebooks repo would be a great place, especially since it could be good to add them to the testing sever. One consideration is that the viewer3d package requires additional dependencies (see here), at minimum py3Dmol, but Jupyter notebooks would also contain nglview and pymol examples.

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