{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "\n", "*This notebook contains material from [PyRosetta](https://RosettaCommons.github.io/PyRosetta.notebooks);\n", "content is available [on Github](https://github.com/RosettaCommons/PyRosetta.notebooks.git).*" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "\n", "< [Docking Moves in Rosetta](http://nbviewer.jupyter.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/07.02-Docking-Moves-in-Rosetta.ipynb) | [Contents](toc.ipynb) | [Index](index.ipynb) | [Global Ligand Docking using `XMLObjects` Using the `ref2015.wts` Scorefunction](http://nbviewer.jupyter.org/github/RosettaCommons/PyRosetta.notebooks/blob/master/notebooks/08.01-Ligand-Docking-XMLObjects.ipynb) >
"
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{
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"source": [
"# Ligand Refinement in PyRosetta (a.k.a. High-Resolution Local Docking) Using the `ligand.wts` Scorefunction"
]
},
{
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"source": [
"*Warning*: This notebook uses `pyrosetta.distributed.viewer` code, which runs in `jupyter notebook` and might not run if you're using `jupyterlab`."
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" You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension: You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension: You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension: You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension: "
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}
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"name": "python3"
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"name": "ipython",
"version": 3
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"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
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\n jupyter labextension install jupyterlab_3dmol
\n",
" jupyter labextension install jupyterlab_3dmol
\n jupyter labextension install jupyterlab_3dmol
\n",
" jupyter labextension install jupyterlab_3dmol