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<div class="title">rotor.h File Reference</div> </div>
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<div class="textblock"><code>#include <<a class="el" href="parsmart_8h_source.shtml">openbabel/parsmart.h</a>></code><br/>
<code>#include <<a class="el" href="typer_8h_source.shtml">openbabel/typer.h</a>></code><br/>
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This graph shows which files directly or indirectly include this file:</div>
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<div class="center"><img src="rotor_8h__dep__incl.png" border="0" usemap="#rotor_8hdep" alt=""/></div>
<map name="rotor_8hdep" id="rotor_8hdep">
<area shape="rect" id="node3" href="conformersearch_8h.shtml" title="Conformer searching using genetic algorithm." alt="" coords="13,160,160,189"/><area shape="rect" id="node7" href="rotamer_8h.shtml" title="Handle rotamer list data." alt="" coords="299,83,387,112"/><area shape="rect" id="node10" href="builder_8cpp.shtml" title="Handle OBBuilder class." alt="" coords="184,160,277,189"/><area shape="rect" id="node12" href="forcefield_8cpp.shtml" title="Handle OBForceField class." alt="" coords="528,160,640,189"/><area shape="rect" id="node20" href="rotor_8cpp.shtml" title="Rotate dihedral angles according to rotor rules." alt="" coords="461,83,544,112"/><area shape="rect" id="node5" href="conformersearch_8cpp.shtml" title="Conformer searching using genetic algorithm." alt="" coords="5,237,168,267"/><area shape="rect" id="node14" href="mol_8cpp.shtml" title="Handle molecules. Implementation of OBMol." alt="" coords="429,160,504,189"/><area shape="rect" id="node16" href="rotamer_8cpp.shtml" title="Handle rotamer list data." alt="" coords="301,160,405,189"/></map>
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<p><a href="rotor_8h_source.shtml">Go to the source code of this file.</a></p>
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Classes</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRotorRule.shtml">OBRotorRule</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">A rule for torsional conformer searching, defined by a SMARTS pattern. <a href="classOpenBabel_1_1OBRotorRule.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRotorRules.shtml">OBRotorRules</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Database of default hybridization torsional rules and SMARTS-defined <a class="el" href="classOpenBabel_1_1OBRotorRule.shtml" title="A rule for torsional conformer searching, defined by a SMARTS pattern.">OBRotorRule</a> objects. <a href="classOpenBabel_1_1OBRotorRules.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRotor.shtml">OBRotor</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">A single rotatable <a class="el" href="classOpenBabel_1_1OBBond.shtml" title="Bond class.">OBBond</a> as part of rotamer searching. <a href="classOpenBabel_1_1OBRotor.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRotorList.shtml">OBRotorList</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Given an <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>, set up a list of possibly rotatable torsions,. <a href="classOpenBabel_1_1OBRotorList.shtml#details">More...</a><br/></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">class  </td><td class="memItemRight" valign="bottom"><a class="el" href="classOpenBabel_1_1OBRotorKeys.shtml">OBRotorKeys</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">A class to generate all possible rotorKeys. <a href="classOpenBabel_1_1OBRotorKeys.shtml#details">More...</a><br/></td></tr>
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Defines</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="rotor_8h.shtml#aa1cf70a99e21bc2032e8867c6cafbb43">SQUARE</a>(x)   ((x)*(x))</td></tr>
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Typedefs</h2></td></tr>
<tr><td class="memItemLeft" align="right" valign="top">typedef std::vector< OBRotor * ><br class="typebreak"/>
::iterator </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a434f394d0613a8ef6c119670ff49710f">OBRotorIterator</a></td></tr>
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<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Rotate torsional according to rotor rules. </p>
</div><hr/><h2>Define Documentation</h2>
<a class="anchor" id="aa1cf70a99e21bc2032e8867c6cafbb43"></a><!-- doxytag: member="rotor.h::SQUARE" ref="aa1cf70a99e21bc2032e8867c6cafbb43" args="(x)" -->
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<td class="memname">#define SQUARE</td>
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<td>   ((x)*(x))</td>
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