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authorNavan Chauhan <navanchauhan@gmail.com>2024-03-26 23:38:14 -0600
committerNavan Chauhan <navanchauhan@gmail.com>2024-03-26 23:38:14 -0600
commitf6d2141a480dd6b5b8ee0e48d43bb64773232791 (patch)
tree2c1debfc78746324b9e38be0bf4796b7a84a6348 /docs/posts/2020-06-01-Speeding-Up-Molecular-Docking-Workflow-AutoDock-Vina-and-PyMOL.html
parentaae00025bd8bff04de90b22b2472aed8a232f476 (diff)
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diff --git a/docs/posts/2020-06-01-Speeding-Up-Molecular-Docking-Workflow-AutoDock-Vina-and-PyMOL.html b/docs/posts/2020-06-01-Speeding-Up-Molecular-Docking-Workflow-AutoDock-Vina-and-PyMOL.html
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@@ -6,13 +6,13 @@
<link rel="stylesheet" href="/assets/main.css" />
<meta charset="utf-8">
<meta name="viewport" content="width=device-width, initial-scale=1.0">
- <title>Workflow for Lightning Fast Molecular Docking Part One</title>
+ <title>id="workflow-for-lightning-fast-molecular-docking-part-one">Workflow for Lightning Fast Molecular Docking Part One</title>
<meta name="og:site_name" content="Navan Chauhan" />
<link rel="canonical" href="https://web.navan.dev/posts/2020-06-01-Speeding-Up-Molecular-Docking-Workflow-AutoDock-Vina-and-PyMOL.html" />
<meta name="twitter:url" content="https://web.navan.dev/posts/2020-06-01-Speeding-Up-Molecular-Docking-Workflow-AutoDock-Vina-and-PyMOL.html />
<meta name="og:url" content="https://web.navan.dev/posts/2020-06-01-Speeding-Up-Molecular-Docking-Workflow-AutoDock-Vina-and-PyMOL.html" />
- <meta name="twitter:title" content="Workflow for Lightning Fast Molecular Docking Part One" />
- <meta name="og:title" content="Workflow for Lightning Fast Molecular Docking Part One" />
+ <meta name="twitter:title" content="id="workflow-for-lightning-fast-molecular-docking-part-one">Workflow for Lightning Fast Molecular Docking Part One" />
+ <meta name="og:title" content="id="workflow-for-lightning-fast-molecular-docking-part-one">Workflow for Lightning Fast Molecular Docking Part One" />
<meta name="description" content="This is my workflow for lightning fast molecular docking." />
<meta name="twitter:description" content="This is my workflow for lightning fast molecular docking." />
<meta name="og:description" content="This is my workflow for lightning fast molecular docking." />
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<main>
- <h1>Workflow for Lightning Fast Molecular Docking Part One</h1>
+ <h1 id="workflow-for-lightning-fast-molecular-docking-part-one">Workflow for Lightning Fast Molecular Docking Part One</h1>
-<h2>My Setup</h2>
+<h2 id="my-setup">My Setup</h2>
<ul>
<li>macOS Catalina ( RIP 32bit app)</li>
@@ -55,7 +55,7 @@
<li>Open Babel</li>
</ul>
-<h2>One Command Docking</h2>
+<h2 id="one-command-docking">One Command Docking</h2>
<pre><code>obabel -:"$(pbpaste)" --gen3d -opdbqt -Otest.pdbqt &amp;&amp; vina --receptor lu.pdbqt --center_x -9.7 --center_y 11.4 --center_z 68.9 --size_x 19.3 --size_y 29.9 --size_z 21.3 --ligand test.pdbqt
</code></pre>