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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
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<title>conformersearch.h File Reference</title>
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<a href="#nested-classes">Classes</a> &#124;
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<div class="title">conformersearch.h File Reference</div>  </div>
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<div class="contents">
<div class="textblock"><code>#include &lt;<a class="el" href="mol_8h_source.shtml">openbabel/mol.h</a>&gt;</code><br/>
<code>#include &lt;<a class="el" href="rotor_8h_source.shtml">openbabel/rotor.h</a>&gt;</code><br/>
<code>#include &lt;<a class="el" href="rotamer_8h_source.shtml">openbabel/rotamer.h</a>&gt;</code><br/>
</div><div class="textblock"><div class="dynheader">
This graph shows which files directly or indirectly include this file:</div>
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<p><a href="conformersearch_8h_source.shtml">Go to the source code of this file.</a></p>
<table class="memberdecls">
<tr><td colspan="2"><h2><a name="nested-classes"></a>
Classes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBConformerFilter.shtml">OBConformerFilter</a></td></tr>
<tr><td class="mdescLeft">&#160;</td><td class="mdescRight">Interface used by <a class="el" href="classOpenBabel_1_1OBConformerSearch.shtml" title="Conformer searching using genetic algorithm. See Conformer Searching.">OBConformerSearch</a> for filtering conformers.  <a href="classOpenBabel_1_1OBConformerFilter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBConformerFilters.shtml">OBConformerFilters</a></td></tr>
<tr><td class="mdescLeft">&#160;</td><td class="mdescRight">Class for combining <a class="el" href="classOpenBabel_1_1OBConformerFilter.shtml" title="Interface used by OBConformerSearch for filtering conformers.">OBConformerFilter</a> objects.  <a href="classOpenBabel_1_1OBConformerFilters.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBStericConformerFilter.shtml">OBStericConformerFilter</a></td></tr>
<tr><td class="mdescLeft">&#160;</td><td class="mdescRight">A steric conformer filter class.  <a href="classOpenBabel_1_1OBStericConformerFilter.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBConformerScore.shtml">OBConformerScore</a></td></tr>
<tr><td class="mdescLeft">&#160;</td><td class="mdescRight">Interface used by <a class="el" href="classOpenBabel_1_1OBConformerSearch.shtml" title="Conformer searching using genetic algorithm. See Conformer Searching.">OBConformerSearch</a> for scoring conformers.  <a href="classOpenBabel_1_1OBConformerScore.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRMSDConformerScore.shtml">OBRMSDConformerScore</a></td></tr>
<tr><td class="mdescLeft">&#160;</td><td class="mdescRight">A RMSD conformer scoring class.  <a href="classOpenBabel_1_1OBRMSDConformerScore.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBEnergyConformerScore.shtml">OBEnergyConformerScore</a></td></tr>
<tr><td class="mdescLeft">&#160;</td><td class="mdescRight">A lowest energy conformer scoring class.  <a href="classOpenBabel_1_1OBEnergyConformerScore.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBConformerSearch.shtml">OBConformerSearch</a></td></tr>
<tr><td class="mdescLeft">&#160;</td><td class="mdescRight">Conformer searching using genetic algorithm. See <a class="el" href="group__conformer.shtml">Conformer Searching</a>.  <a href="classOpenBabel_1_1OBConformerSearch.shtml#details">More...</a><br/></td></tr>
<tr><td colspan="2"><h2><a name="namespaces"></a>
Namespaces</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">namespace &#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml">OpenBabel</a></td></tr>
<tr><td colspan="2"><h2><a name="typedef-members"></a>
Typedefs</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef std::vector&lt; int &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a087fe4bdc2d57b56addb4b9fd7fc0415">RotorKey</a></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef std::vector&lt; RotorKey &gt;&#160;</td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#ad5ae0fb6c3d3406efb549fbc9f8c26f0">RotorKeys</a></td></tr>
</table>
<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Conformer searching using genetic algorithm. </p>
</div></div>
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