Skip to content

Commit

Permalink
deploy: 1b3b7d5
Browse files Browse the repository at this point in the history
  • Loading branch information
janash committed Jul 2, 2024
1 parent 19eb50f commit 438479d
Show file tree
Hide file tree
Showing 10 changed files with 85 additions and 85 deletions.
Binary file not shown.
Binary file not shown.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
Loading
Sorry, something went wrong. Reload?
Sorry, we cannot display this file.
Sorry, this file is invalid so it cannot be displayed.
8 changes: 4 additions & 4 deletions chapters/Creating_Plots_in_Jupyter_Notebooks.html
Original file line number Diff line number Diff line change
Expand Up @@ -465,7 +465,7 @@ <h2>Using Matplotlib.pyplot<a class="headerlink" href="#using-matplotlib-pyplot"
</div>
</div>
<div class="cell_output docutils container">
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;matplotlib.collections.PathCollection at 0x7fec32370310&gt;
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;matplotlib.collections.PathCollection at 0x7fe8181dcbd0&gt;
</pre></div>
</div>
<img alt="../_images/ceaaf9ece89b08454dd7707908e35945d376737045e460c49eebbcadd1df23cf.png" src="../_images/ceaaf9ece89b08454dd7707908e35945d376737045e460c49eebbcadd1df23cf.png" />
Expand All @@ -481,7 +481,7 @@ <h2>Using Matplotlib.pyplot<a class="headerlink" href="#using-matplotlib-pyplot"
</div>
</div>
<div class="cell_output docutils container">
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;matplotlib.lines.Line2D at 0x7fec3239e310&gt;]
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;matplotlib.lines.Line2D at 0x7fe8181e9510&gt;]
</pre></div>
</div>
<img alt="../_images/720b0e757eaaa9fb1a4f291e9abd2db1cede159aac7a370b4b02faa4ef0066e2.png" src="../_images/720b0e757eaaa9fb1a4f291e9abd2db1cede159aac7a370b4b02faa4ef0066e2.png" />
Expand Down Expand Up @@ -579,7 +579,7 @@ <h2>Scatter Plots with Seaborn<a class="headerlink" href="#scatter-plots-with-se
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>&lt;Axes: xlabel=&#39;Protein Concentration (mg/mL)&#39;, ylabel=&#39;A595&#39;&gt;
</pre></div>
</div>
<img alt="../_images/8371472862b2f922bb59a0c77e0921582d686f681160f65fe0c5f8e819d19d96.png" src="../_images/8371472862b2f922bb59a0c77e0921582d686f681160f65fe0c5f8e819d19d96.png" />
<img alt="../_images/bc36ef4c8e3d0ad87b6d00f65e26fbcc03e4832803205f2b3d8c36c971e45e48.png" src="../_images/bc36ef4c8e3d0ad87b6d00f65e26fbcc03e4832803205f2b3d8c36c971e45e48.png" />
</div>
</div>
<div class="exercise admonition">
Expand Down Expand Up @@ -628,7 +628,7 @@ <h2>Scatter Plots with Seaborn<a class="headerlink" href="#scatter-plots-with-se
</div>
</div>
<div class="cell_output docutils container">
<img alt="../_images/51cf05d799f955c6bc97abcf6bfa7eac8bb03bc68d73d250a2960282cbabfdf5.png" src="../_images/51cf05d799f955c6bc97abcf6bfa7eac8bb03bc68d73d250a2960282cbabfdf5.png" />
<img alt="../_images/8df5c7f39f20f1dee3db00356185d516ae31773f65ba0ba8861e8f33591effd8.png" src="../_images/8df5c7f39f20f1dee3db00356185d516ae31773f65ba0ba8861e8f33591effd8.png" />
</div>
</div>
<div class="key admonition">
Expand Down
144 changes: 72 additions & 72 deletions chapters/MolVis_with_iCN3D.html

Large diffs are not rendered by default.

10 changes: 5 additions & 5 deletions chapters/binding_site_investigation.html
Original file line number Diff line number Diff line change
Expand Up @@ -470,7 +470,7 @@ <h2>View the structure<a class="headerlink" href="#view-the-structure" title="Li
</div>
</div>
<div class="cell_output docutils container">
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "626b47a88ff44a8ba9904b8395296b28"}</script></div>
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "78aa81479dd74049a15a1ea7444cb16b"}</script></div>
</div>
<p>Text here about NGLView</p>
<div class="cell docutils container">
Expand All @@ -481,7 +481,7 @@ <h2>View the structure<a class="headerlink" href="#view-the-structure" title="Li
</div>
</div>
<div class="cell_output docutils container">
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "7e4ba5b126ce4877b950fedc58643cc8"}</script></div>
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "e2cb084d744c4db0ba2808149697a171"}</script></div>
</div>
<p>This view looks a bit messy. MDAnalysis has a human readable <a class="reference external" href="https://docs.mdanalysis.org/stable/documentation_pages/selections.html">selection syntax</a>
that allows us to isolate parts of our structure. We will take our MDAnalysis Universe (the variable <code class="docutils literal notranslate"><span class="pre">u</span></code>) and use the <code class="docutils literal notranslate"><span class="pre">select_atoms</span></code> function.
Expand All @@ -505,7 +505,7 @@ <h2>View the structure<a class="headerlink" href="#view-the-structure" title="Li
</div>
</div>
<div class="cell_output docutils container">
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "667cc174ad924093acb7bbf186cdd2f8"}</script></div>
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "6436183840db4b0db8587ce05c7d4b77"}</script></div>
</div>
<p>Upon viewing this structure, you will notice that our ligand seems to appear twice.
If you open the PDB file to investigate, you will see the following in the ligand section:</p>
Expand Down Expand Up @@ -543,7 +543,7 @@ <h2>View the structure<a class="headerlink" href="#view-the-structure" title="Li
</div>
</div>
<div class="cell_output docutils container">
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "2f2718bf8c74478a8f0987b464c3124a"}</script></div>
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "ce732a0453974a1d837b2b1f655551a1"}</script></div>
</div>
<div class="cell docutils container">
<div class="cell_input docutils container">
Expand All @@ -552,7 +552,7 @@ <h2>View the structure<a class="headerlink" href="#view-the-structure" title="Li
</div>
</div>
<div class="cell_output docutils container">
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "a2584e683a8246c88657c9594897ceeb"}</script></div>
<script type="application/vnd.jupyter.widget-view+json">{"version_major": 2, "version_minor": 0, "model_id": "ce37fff02a684a31b11ee4fad106a846"}</script></div>
</div>
<p>When we inspect the ligand in the binding site, we notice a few things.
First, the binding site has a large hydrophobic area on the surface.
Expand Down
2 changes: 1 addition & 1 deletion chapters/nonlinear_regression_part_2.html
Original file line number Diff line number Diff line change
Expand Up @@ -557,7 +557,7 @@ <h2>The Michaelis-Menten equation<a class="headerlink" href="#the-michaelis-ment
</div>
</div>
<div class="cell_output docutils container">
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;matplotlib.lines.Line2D at 0x7fd8e6db7f10&gt;]
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>[&lt;matplotlib.lines.Line2D at 0x7faf90849450&gt;]
</pre></div>
</div>
<img alt="../_images/ed2e8a80cd568b164f79f3c9cf21556ba7d5baac33497c50cc6db1e0744d85e0.png" src="../_images/ed2e8a80cd568b164f79f3c9cf21556ba7d5baac33497c50cc6db1e0744d85e0.png" />
Expand Down
4 changes: 2 additions & 2 deletions chapters/rcsb_api.html
Original file line number Diff line number Diff line change
Expand Up @@ -680,7 +680,7 @@ <h2>PDB Search API<a class="headerlink" href="#pdb-search-api" title="Link to th
</div>
</div>
<div class="cell_output docutils container">
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;query_id&#39;: &#39;1a6a7ab9-1503-4a5b-8875-7d29c82bf354&#39;,
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;query_id&#39;: &#39;4a0becaa-d9c8-4f68-9349-29cee744f9a9&#39;,
&#39;result_type&#39;: &#39;entry&#39;,
&#39;total_count&#39;: 668,
&#39;result_set&#39;: [{&#39;identifier&#39;: &#39;2BMM&#39;, &#39;score&#39;: 1.0},
Expand Down Expand Up @@ -802,7 +802,7 @@ <h2>PDB Search API<a class="headerlink" href="#pdb-search-api" title="Link to th
</div>
</div>
<div class="cell_output docutils container">
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;query_id&#39;: &#39;a5117d87-a456-41f6-96d7-19fd3e32cbe7&#39;,
<div class="output text_plain highlight-myst-ansi notranslate"><div class="highlight"><pre><span></span>{&#39;query_id&#39;: &#39;9d8db27b-ab5f-4204-ab73-d4fddfb36c18&#39;,
&#39;result_type&#39;: &#39;entry&#39;,
&#39;total_count&#39;: 571,
&#39;result_set&#39;: [{&#39;identifier&#39;: &#39;1MBN&#39;, &#39;score&#39;: 1.0},
Expand Down
2 changes: 1 addition & 1 deletion searchindex.js

Large diffs are not rendered by default.

0 comments on commit 438479d

Please sign in to comment.