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<a href="Scientific-module.html">Package Scientific</a> ::
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Class Atom
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<!-- ==================== CLASS DESCRIPTION ==================== -->
<h1 class="epydoc">Class Atom</h1><p class="nomargin-top"></p>
<dl><dt>Known Subclasses:</dt>
<dd>
<ul class="subclass-list">
<li><a href="Scientific.IO.PDB.HetAtom-class.html">HetAtom</a></li> </ul>
</dd></dl>
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<p>Atom in a PDB structure</p>
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<td><span class="summary-sig"><a href="Scientific.IO.PDB.Atom-class.html#__getitem__" class="summary-sig-name">__getitem__</a>(<span class="summary-sig-arg">self</span>,
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Returns:
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<td><span class="summary-sig"><a href="Scientific.IO.PDB.Atom-class.html#__init__" class="summary-sig-name">__init__</a>(<span class="summary-sig-arg">self</span>,
<span class="summary-sig-arg">name</span>,
<span class="summary-sig-arg">position</span>,
<span class="summary-sig-arg">**properties</span>)</span></td>
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<td><span class="summary-sig"><a href="Scientific.IO.PDB.Atom-class.html#__setitem__" class="summary-sig-name">__setitem__</a>(<span class="summary-sig-arg">self</span>,
<span class="summary-sig-arg">item</span>,
<span class="summary-sig-arg">value</span>)</span></td>
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<span class="summary-type"> </span>
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<td><span class="summary-sig"><a name="__str__"></a><span class="summary-sig-name">__str__</span>(<span class="summary-sig-arg">self</span>)</span></td>
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<span class="summary-type"><code>str</code></span>
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<td><span class="summary-sig"><a href="Scientific.IO.PDB.Atom-class.html#type" class="summary-sig-name">type</a>(<span class="summary-sig-arg">self</span>)</span><br />
Returns:
the six-letter record type, ATOM or HETATM</td>
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<td><span class="summary-sig"><a href="Scientific.IO.PDB.Atom-class.html#writeToFile" class="summary-sig-name">writeToFile</a>(<span class="summary-sig-arg">self</span>,
<span class="summary-sig-arg">file</span>)</span><br />
Write an atom record to a file</td>
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<a name="__getitem__"></a>
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<h3 class="epydoc"><span class="sig"><span class="sig-name">__getitem__</span>(<span class="sig-arg">self</span>,
<span class="sig-arg">item</span>)</span>
<br /><em class="fname">(Indexing operator)</em>
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<dl class="fields">
<dt>Parameters:</dt>
<dd><ul class="nomargin-top">
<li><strong class="pname"><code>item</code></strong> (<code>str</code>) - the name of a property, including "name" or
"position"</li>
</ul></dd>
<dt>Returns:</dt>
<dd>the property value</dd>
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<h3 class="epydoc"><span class="sig"><span class="sig-name">__init__</span>(<span class="sig-arg">self</span>,
<span class="sig-arg">name</span>,
<span class="sig-arg">position</span>,
<span class="sig-arg">**properties</span>)</span>
<br /><em class="fname">(Constructor)</em>
</h3>
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>
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<dl class="fields">
<dt>Parameters:</dt>
<dd><ul class="nomargin-top">
<li><strong class="pname"><code>name</code></strong> (<code>str</code>) - the atom name</li>
<li><strong class="pname"><code>position</code></strong> (<a href="Scientific.Geometry.Vector-class.html"
class="link">Scientific.Geometry.Vector</a>) - the atom position</li>
<li><strong class="pname"><code>properties</code></strong> - any other atom properties as keyword parameters. These properties
are stored in the atom object and can be accessed by indexing, as
for dictionaries.</li>
</ul></dd>
</dl>
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<h3 class="epydoc"><span class="sig"><span class="sig-name">__setitem__</span>(<span class="sig-arg">self</span>,
<span class="sig-arg">item</span>,
<span class="sig-arg">value</span>)</span>
<br /><em class="fname">(Index assignment operator)</em>
</h3>
</td><td align="right" valign="top"
>
</td>
</tr></table>
<dl class="fields">
<dt>Parameters:</dt>
<dd><ul class="nomargin-top">
<li><strong class="pname"><code>item</code></strong> (<code>str</code>) - the name of an existing or to be defined property</li>
<li><strong class="pname"><code>value</code></strong> - the new value for the property</li>
</ul></dd>
</dl>
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<h3 class="epydoc"><span class="sig"><span class="sig-name">type</span>(<span class="sig-arg">self</span>)</span>
</h3>
</td><td align="right" valign="top"
>
</td>
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<dl class="fields">
<dt>Returns: <code>str</code></dt>
<dd>the six-letter record type, ATOM or HETATM</dd>
</dl>
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<h3 class="epydoc"><span class="sig"><span class="sig-name">writeToFile</span>(<span class="sig-arg">self</span>,
<span class="sig-arg">file</span>)</span>
</h3>
</td><td align="right" valign="top"
>
</td>
</tr></table>
<p>Write an atom record to a file</p>
<dl class="fields">
<dt>Parameters:</dt>
<dd><ul class="nomargin-top">
<li><strong class="pname"><code>file</code></strong> (<a href="Scientific.IO.PDB.PDBFile-class.html"
class="link">PDBFile</a> or <code>str</code>) - a PDB file object or a filename</li>
</ul></dd>
</dl>
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