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<div class="title">rotor.cpp File Reference</div> </div>
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<div class="textblock"><code>#include <openbabel/babelconfig.h></code><br/>
<code>#include <<a class="el" href="mol_8h_source.shtml">openbabel/mol.h</a>></code><br/>
<code>#include <<a class="el" href="rotor_8h_source.shtml">openbabel/rotor.h</a>></code><br/>
<code>#include "torlib.h"</code><br/>
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<tr><td class="memItemLeft" align="right" valign="top">#define </td><td class="memItemRight" valign="bottom"><a class="el" href="rotor_8cpp.shtml#afb0ab18e82b8900b886c736aa0118f0c">OB_DEFAULT_DELTA</a>   10.0</td></tr>
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<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a534fe2a629963b79ffbd499f461ca5df">GetDFFVector</a> (OBMol &, vector< int > &, OBBitVec &)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static bool </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#adfad2bce1feae52028bcf69d6b5de37a">CompareRotor</a> (const pair< OBBond *, int > &, const pair< OBBond *, int > &)</td></tr>
<tr><td class="memItemLeft" align="right" valign="top">static double </td><td class="memItemRight" valign="bottom"><a class="el" href="namespaceOpenBabel.shtml#a29e21802967a71af8d4f4828d979676b">MinimumPairRMS</a> (OBMol &, double *, double *, bool &)</td></tr>
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<hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
<div class="textblock"><p>Rotate dihedral angles according to rotor rules. </p>
</div><hr/><h2>Define Documentation</h2>
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<td class="memname">#define OB_DEFAULT_DELTA   10.0</td>
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<p>Default step resolution for a dihedral angle (in degrees) </p>
<p>Referenced by <a class="el" href="classOpenBabel_1_1OBRotorRules.shtml#ab7527366ed1bf39da7123e3ad65d96ad">OBRotorRules::GetRotorIncrements()</a>, and <a class="el" href="classOpenBabel_1_1OBRotorRules.shtml#ae59fef8af62e52629bf2576e34a26801">OBRotorRules::ParseLine()</a>.</p>
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