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gbayarri committed Sep 1, 2022
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -31,6 +31,7 @@ git clone https://github.com/bioexcel/biobb_wf_ligand_parameterization.git
cd biobb_wf_ligand_parameterization
conda env create -f conda_env/environment.yml
conda activate biobb_ligand_parameterization_tutorial
jupyter nbextension enable python-markdown/main
jupyter-notebook biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb
```

Expand All @@ -39,7 +40,6 @@ Please execute the following commands before launching the Jupyter Notebook if y
```console
jupyter-nbextension enable --py --user widgetsnbextension
jupyter-nbextension enable --py --user nglview
jupyter nbextension enable python-markdown/main
```

***
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Expand Up @@ -29,6 +29,7 @@
"cd biobb_wf_ligand_parameterization\n",
"conda env create -f conda_env/environment.yml\n",
"conda activate biobb_ligand_parameterization_tutorial\n",
"jupyter nbextension enable python-markdown/main\n",
"jupyter-notebook biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb\n",
"``` \n",
"\n",
Expand All @@ -37,7 +38,6 @@
"```console\n",
"jupyter-nbextension enable --py --user widgetsnbextension\n",
"jupyter-nbextension enable --py --user nglview\n",
"jupyter nbextension enable python-markdown/main\n",
"```\n",
"\n",
"***\n",
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2 changes: 1 addition & 1 deletion biobb_wf_ligand_parameterization/docs/source/readme.md
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Expand Up @@ -31,6 +31,7 @@ git clone https://github.com/bioexcel/biobb_wf_ligand_parameterization.git
cd biobb_wf_ligand_parameterization
conda env create -f conda_env/environment.yml
conda activate biobb_ligand_parameterization_tutorial
jupyter nbextension enable python-markdown/main
jupyter-notebook biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb
```

Expand All @@ -39,7 +40,6 @@ Please execute the following commands before launching the Jupyter Notebook if y
```console
jupyter-nbextension enable --py --user widgetsnbextension
jupyter-nbextension enable --py --user nglview
jupyter nbextension enable python-markdown/main
```

***
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2 changes: 1 addition & 1 deletion biobb_wf_ligand_parameterization/docs/source/tutorial.md
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Expand Up @@ -23,6 +23,7 @@ git clone https://github.com/bioexcel/biobb_wf_ligand_parameterization.git
cd biobb_wf_ligand_parameterization
conda env create -f conda_env/environment.yml
conda activate biobb_ligand_parameterization_tutorial
jupyter nbextension enable python-markdown/main
jupyter-notebook biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb
```

Expand All @@ -31,7 +32,6 @@ Please execute the following commands before launching the Jupyter Notebook if y
```console
jupyter-nbextension enable --py --user widgetsnbextension
jupyter-nbextension enable --py --user nglview
jupyter nbextension enable python-markdown/main
```

***
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Expand Up @@ -14279,15 +14279,13 @@ <h3 id="Conda-Installation-and-Launch">Conda Installation and Launch<a class="an
<span class="go">cd biobb_wf_ligand_parameterization</span>
<span class="go">conda env create -f conda_env/environment.yml</span>
<span class="go">conda activate biobb_ligand_parameterization_tutorial</span>
<span class="go">jupyter-nbextension enable --py --user widgetsnbextension</span>
<span class="go">jupyter-nbextension enable --py --user nglview</span>
<span class="go">jupyter nbextension enable python-markdown/main</span>
<span class="go">jupyter-notebook biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb</span>
</pre></div>
<p>Please execute the following commands before launching the Jupyter Notebook if you experience some issues with widgets such as NGL View (3D molecular visualization):</p>
<div class="highlight"><pre><span></span><span class="go">git clone https://github.com/bioexcel/biobb_wf_ligand_parameterization.git</span>
<span class="go">jupyter-nbextension enable --py --user widgetsnbextension</span>
<span class="go">jupyter-nbextension enable --py --user nglview</span>
<span class="go">jupyter nbextension enable python-markdown/main</span>
</pre></div>
<hr>
<h3 id="Pipeline-steps:">Pipeline steps:<a class="anchor-link" href="#Pipeline-steps:">&#182;</a></h3><ol>
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Expand Up @@ -29,6 +29,7 @@
"cd biobb_wf_ligand_parameterization\n",
"conda env create -f conda_env/environment.yml\n",
"conda activate biobb_ligand_parameterization_tutorial\n",
"jupyter nbextension enable python-markdown/main\n",
"jupyter-notebook biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb\n",
"``` \n",
"\n",
Expand All @@ -37,7 +38,6 @@
"```console\n",
"jupyter-nbextension enable --py --user widgetsnbextension\n",
"jupyter-nbextension enable --py --user nglview\n",
"jupyter nbextension enable python-markdown/main\n",
"```\n",
"\n",
"***\n",
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Expand Up @@ -29,6 +29,7 @@
"cd biobb_wf_ligand_parameterization\n",
"conda env create -f conda_env/environment.yml\n",
"conda activate biobb_ligand_parameterization_tutorial\n",
"jupyter nbextension enable python-markdown/main\n",
"jupyter-notebook biobb_wf_ligand_parameterization/notebooks/biobb_ligand_parameterization_tutorial.ipynb\n",
"``` \n",
"\n",
Expand All @@ -37,7 +38,6 @@
"```console\n",
"jupyter-nbextension enable --py --user widgetsnbextension\n",
"jupyter-nbextension enable --py --user nglview\n",
"jupyter nbextension enable python-markdown/main\n",
"```\n",
"\n",
"***\n",
Expand Down Expand Up @@ -419,7 +419,7 @@
"metadata": {
"anaconda-cloud": {},
"kernelspec": {
"display_name": "Python 3",
"display_name": "Python 3.8.9 64-bit",
"language": "python",
"name": "python3"
},
Expand All @@ -433,7 +433,12 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.10"
"version": "3.8.9"
},
"vscode": {
"interpreter": {
"hash": "31f2aee4e71d21fbe5cf8b01ff0e069b9275f58929596ceb00d14d90e3e16cd6"
}
}
},
"nbformat": 4,
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