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<title>Loading Rotamer Libraries — ProMod3 3.1.1 documentation</title>
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<div class="section" id="loading-rotamer-libraries">
<h1>Loading Rotamer Libraries<a class="headerlink" href="#loading-rotamer-libraries" title="Permalink to this headline">¶</a></h1>
<p>There are several rotamer libraries that can be used in ProMod3 . ProMod3
is optimized for the use with backbone dependent rotamer libraries such
as the 2010 library provided by the Dunbrack lab <a class="reference internal" href="../references.html#shapovalov2011" id="id1"><span>[shapovalov2011]</span></a>.
You can request a licence <a class="reference external" href="http://dunbrack.fccc.edu/bbdep2010/">here</a>
and generate such a library as described in
extras/data_generation/rotamer_library/README. Alternatively, ProMod3
provides its own backbone dependent or backbone independent libraries
that can be loaded with <a class="reference internal" href="#promod3.sidechain.LoadBBDepLib" title="promod3.sidechain.LoadBBDepLib"><code class="xref py py-meth docutils literal notranslate"><span class="pre">LoadBBDepLib()</span></code></a> / <a class="reference internal" href="#promod3.sidechain.LoadLib" title="promod3.sidechain.LoadLib"><code class="xref py py-meth docutils literal notranslate"><span class="pre">LoadLib()</span></code></a>.</p>
<dl class="method">
<dt id="promod3.sidechain.LoadBBDepLib">
<code class="sig-prename descclassname">promod3.sidechain.</code><code class="sig-name descname">LoadBBDepLib</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#promod3.sidechain.LoadBBDepLib" title="Permalink to this definition">¶</a></dt>
<dd><p>A backbone dependent rotamer library shipped with ProMod3. You can find
details on how it is created in extras/data_generation/rotamer_library/README.
All scripts to build it are in the same directory as the README file and
build the basis for custom versions.</p>
<dl class="field-list simple">
<dt class="field-odd">Returns</dt>
<dd class="field-odd"><p>The requested Library</p>
</dd>
<dt class="field-even">Return type</dt>
<dd class="field-even"><p><a class="reference internal" href="rotamer_lib.html#promod3.sidechain.BBDepRotamerLib" title="promod3.sidechain.BBDepRotamerLib"><code class="xref py py-class docutils literal notranslate"><span class="pre">BBDepRotamerLib</span></code></a></p>
</dd>
</dl>
</dd></dl>
<dl class="method">
<dt id="promod3.sidechain.LoadLib">
<code class="sig-prename descclassname">promod3.sidechain.</code><code class="sig-name descname">LoadLib</code><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="headerlink" href="#promod3.sidechain.LoadLib" title="Permalink to this definition">¶</a></dt>
<dd><p>A backbone independent rotamer library shipped with ProMod3. You can find
details on how it is created in extras/data_generation/rotamer_library/README.
All scripts to build it are in the same directory as the README file and
build the basis for custom versions.</p>
<dl class="field-list simple"><dt class="field-odd">Returns</dt>
<dd class="field-odd"><p>The requested library</p>
</dd>
<dt class="field-even">Return type</dt>
<dd class="field-even"><p><a class="reference internal" href="rotamer_lib.html#promod3.sidechain.RotamerLib" title="promod3.sidechain.RotamerLib"><code class="xref py py-class docutils literal notranslate"><span class="pre">RotamerLib</span></code></a></p>
</dd>
</dl>
</dd></dl>
<dl class="method">
<dt id="promod3.sidechain.ReadDunbrackFile">
<code class="sig-prename descclassname">promod3.sidechain.</code><code class="sig-name descname">ReadDunbrackFile</code><span class="sig-paren">(</span><em class="sig-param">filename</em><span class="sig-paren">)</span><a class="headerlink" href="#promod3.sidechain.ReadDunbrackFile" title="Permalink to this definition">¶</a></dt>
<dd><p>Reads a file as it is provided when you get a licence for the 2010 library of
the Dunbrack lab. It can only read the classic version, where all rotamers
are in a single file. Specific distributions of non-rotameric sidechains
cannot be read. You can find an example described in
extras/data_generation/rotamer_library/README</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters</dt>
<dd class="field-odd"><p><strong>filename</strong> – Name of the file</p>
</dd>
<dt class="field-even">Throws</dt>
<dd class="field-even"><p><code class="xref py py-exc docutils literal notranslate"><span class="pre">RuntimeError</span></code> if file does not exist, the format
is not valid or when the library is incomplete leading to problems
to make the library static. Most likely your input file is
incomplete if the last problem gets triggered.</p>
</dd>
<dt class="field-odd">Returns</dt>
<dd class="field-odd"><p>The read library</p>
</dd>
<dt class="field-even">Return type</dt>
<dd class="field-even"><p><a class="reference internal" href="rotamer_lib.html#promod3.sidechain.BBDepRotamerLib" title="promod3.sidechain.BBDepRotamerLib"><code class="xref py py-class docutils literal notranslate"><span class="pre">BBDepRotamerLib</span></code></a></p>
</dd>
</dl>
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