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<div class="title">residue.h</div> </div>
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<a href="residue_8h.shtml">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">/**********************************************************************</span>
<a name="l00002"></a>00002 <span class="comment">residue.h - Defines for residue properties, names, etc.</span>
<a name="l00003"></a>00003 <span class="comment"></span>
<a name="l00004"></a>00004 <span class="comment">Copyright (C) 2001, 2002 OpenEye Scientific Software, Inc.</span>
<a name="l00005"></a>00005 <span class="comment">Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison</span>
<a name="l00006"></a>00006 <span class="comment"></span>
<a name="l00007"></a>00007 <span class="comment">This file is part of the Open Babel project.</span>
<a name="l00008"></a>00008 <span class="comment">For more information, see <http://openbabel.org/></span>
<a name="l00009"></a>00009 <span class="comment"></span>
<a name="l00010"></a>00010 <span class="comment">This program is free software; you can redistribute it and/or modify</span>
<a name="l00011"></a>00011 <span class="comment">it under the terms of the GNU General Public License as published by</span>
<a name="l00012"></a>00012 <span class="comment">the Free Software Foundation version 2 of the License.</span>
<a name="l00013"></a>00013 <span class="comment"></span>
<a name="l00014"></a>00014 <span class="comment">This program is distributed in the hope that it will be useful,</span>
<a name="l00015"></a>00015 <span class="comment">but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<a name="l00016"></a>00016 <span class="comment">MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<a name="l00017"></a>00017 <span class="comment">GNU General Public License for more details.</span>
<a name="l00018"></a>00018 <span class="comment">***********************************************************************/</span>
<a name="l00019"></a>00019
<a name="l00020"></a>00020 <span class="comment">/**********************************************************************</span>
<a name="l00021"></a>00021 <span class="comment">Global arrays Residue, ElemDesc and function GetResidueNumber were</span>
<a name="l00022"></a>00022 <span class="comment">obtained in part or whole from RasMol2 by Roger Sayle.</span>
<a name="l00023"></a>00023 <span class="comment">***********************************************************************/</span>
<a name="l00024"></a>00024
<a name="l00025"></a>00025 <span class="preprocessor">#ifndef OB_RESIDUE_H</span>
<a name="l00026"></a>00026 <span class="preprocessor"></span><span class="preprocessor">#define OB_RESIDUE_H</span>
<a name="l00027"></a>00027 <span class="preprocessor"></span>
<a name="l00028"></a>00028 <span class="preprocessor">#include <openbabel/babelconfig.h></span>
<a name="l00029"></a>00029
<a name="l00030"></a>00030 <span class="preprocessor">#ifndef EXTERN</span>
<a name="l00031"></a>00031 <span class="preprocessor"></span><span class="preprocessor"># define EXTERN extern</span>
<a name="l00032"></a>00032 <span class="preprocessor"></span><span class="preprocessor">#endif</span>
<a name="l00033"></a>00033 <span class="preprocessor"></span>
<a name="l00034"></a>00034 <span class="preprocessor">#include <vector></span>
<a name="l00035"></a>00035 <span class="preprocessor">#include <string></span>
<a name="l00036"></a>00036
<a name="l00037"></a>00037 <span class="preprocessor">#include <<a class="code" href="base_8h.shtml" title="Base classes to build a graph.">openbabel/base.h</a>></span>
<a name="l00038"></a>00038
<a name="l00039"></a>00039 <span class="keyword">namespace </span>OpenBabel {
<a name="l00040"></a>00040
<a name="l00041"></a>00041 <span class="keyword">class </span>OBAtom;
<a name="l00043"></a>00043 <span class="keyword">typedef</span> std::vector<OBAtom*>::iterator <a class="code" href="namespaceOpenBabel.shtml#aed11ccd81d7abaccbdf10486a5ae0402" title="A standard iterator over a vector of atoms.">OBAtomIterator</a>;
<a name="l00044"></a>00044 <span class="keyword">class </span>OBBond;
<a name="l00046"></a>00046 <span class="keyword">typedef</span> std::vector<OBBond*>::iterator <a class="code" href="namespaceOpenBabel.shtml#a54495d3eb8f9749d0237e6bda59e0abe" title="A standard iterator over a vector of bonds.">OBBondIterator</a>;
<a name="l00047"></a>00047
<a name="l00048"></a>00048 <span class="comment">// Class OBResidue</span>
<a name="l00049"></a>00049 <span class="comment">// class introduction in residue.cpp</span>
<a name="l00050"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml">00050</a> <span class="keyword">class </span>OBAPI <a class="code" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a> : <span class="keyword">public</span> <a class="code" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a>
<a name="l00051"></a>00051 {
<a name="l00052"></a>00052 <span class="keyword">public</span>:
<a name="l00053"></a>00053
<a name="l00055"></a>00055 <a class="code" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a>(<span class="keywordtype">void</span>);
<a name="l00057"></a>00057 <a class="code" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a>(<span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a> &);
<a name="l00059"></a>00059 <span class="keyword">virtual</span> ~<a class="code" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a>(<span class="keywordtype">void</span>);
<a name="l00060"></a>00060
<a name="l00061"></a>00061 <a class="code" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a> &operator=(<span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a> &);
<a name="l00062"></a>00062
<a name="l00064"></a>00064 <span class="keywordtype">void</span> AddAtom(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom);
<a name="l00066"></a>00066 <span class="keywordtype">void</span> InsertAtom(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom);
<a name="l00068"></a>00068 <span class="keywordtype">void</span> RemoveAtom(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom);
<a name="l00073"></a>00073 <span class="keywordtype">bool</span> Clear();
<a name="l00074"></a>00074
<a name="l00079"></a>00079 <span class="keywordtype">void</span> SetName(<span class="keyword">const</span> std::string &resname);
<a name="l00081"></a>00081 <span class="keywordtype">void</span> SetNum(<span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> resnum);
<a name="l00082"></a>00082 <span class="keywordtype">void</span> SetNum(<span class="keyword">const</span> std::string resnum);
<a name="l00084"></a>00084 <span class="keywordtype">void</span> SetChain(<span class="keyword">const</span> <span class="keywordtype">char</span> chain);
<a name="l00086"></a>00086 <span class="keywordtype">void</span> SetChainNum(<span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> chainnum);
<a name="l00089"></a>00089 <span class="keywordtype">void</span> SetIdx(<span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> idx);
<a name="l00090"></a>00090
<a name="l00093"></a>00093 <span class="keywordtype">void</span> SetAtomID(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom, <span class="keyword">const</span> std::string &<span class="keywordtype">id</span>);
<a name="l00094"></a>00094 <span class="keywordtype">void</span> SetHetAtom(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom, <span class="keywordtype">bool</span> hetatm);
<a name="l00096"></a>00096 <span class="keywordtype">void</span> SetSerialNum(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom, <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> sernum);
<a name="l00097"></a>00097
<a name="l00099"></a>00099 std::string GetName(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00101"></a>00101 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> GetNum(<span class="keywordtype">void</span>);
<a name="l00102"></a>00102 std::string GetNumString(<span class="keywordtype">void</span>);
<a name="l00104"></a>00104 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> GetNumAtoms() <span class="keyword">const</span>;
<a name="l00106"></a>00106 <span class="keywordtype">char</span> GetChain(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00108"></a>00108 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> GetChainNum(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00110"></a>00110 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> GetIdx(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00112"></a>00112 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> GetResKey(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00113"></a>00113
<a name="l00115"></a>00115 std::vector<OBAtom*> GetAtoms(<span class="keywordtype">void</span>) <span class="keyword">const</span>;
<a name="l00118"></a>00118 std::vector<OBBond*> GetBonds(<span class="keywordtype">bool</span> exterior= <span class="keyword">true</span>)<span class="keyword">const</span>;
<a name="l00119"></a>00119
<a name="l00122"></a>00122 std::string GetAtomID(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom) <span class="keyword">const</span>;
<a name="l00124"></a>00124 <span class="keywordtype">unsigned</span> GetSerialNum(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom) <span class="keyword">const</span>;
<a name="l00125"></a>00125
<a name="l00128"></a>00128 <span class="keywordtype">bool</span> GetAminoAcidProperty(<span class="keywordtype">int</span>) <span class="keyword">const</span>;
<a name="l00131"></a>00131 <span class="keywordtype">bool</span> GetAtomProperty(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *a, <span class="keywordtype">int</span>) <span class="keyword">const</span>;
<a name="l00134"></a>00134 <span class="keywordtype">bool</span> GetResidueProperty(<span class="keywordtype">int</span>) <span class="keyword">const</span>;
<a name="l00135"></a>00135
<a name="l00137"></a>00137 <span class="keywordtype">bool</span> IsHetAtom(<a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *atom) <span class="keyword">const</span>;
<a name="l00140"></a>00140 <span class="keywordtype">bool</span> IsResidueType(<span class="keywordtype">int</span>) <span class="keyword">const</span>;
<a name="l00141"></a>00141
<a name="l00143"></a>00143
<a name="l00144"></a>00144
<a name="l00145"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#ae3b07b388e733d5a0e9ee9654a4411a1">00145</a> <a class="code" href="namespaceOpenBabel.shtml#aed11ccd81d7abaccbdf10486a5ae0402" title="A standard iterator over a vector of atoms.">OBAtomIterator</a> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#ae3b07b388e733d5a0e9ee9654a4411a1">BeginAtoms</a>() { <span class="keywordflow">return</span> _atoms.begin(); }
<a name="l00147"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#a81afb84c73fe3e57e8edd5a472e175f6">00147</a> <a class="code" href="namespaceOpenBabel.shtml#aed11ccd81d7abaccbdf10486a5ae0402" title="A standard iterator over a vector of atoms.">OBAtomIterator</a> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#a81afb84c73fe3e57e8edd5a472e175f6">EndAtoms</a>() { <span class="keywordflow">return</span> _atoms.end(); }
<a name="l00150"></a>00150 <a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *BeginAtom(std::vector<OBAtom*>::iterator &i);
<a name="l00153"></a>00153 <a class="code" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a> *NextAtom(std::vector<OBAtom*>::iterator &i);
<a name="l00155"></a>00155
<a name="l00156"></a>00156 <span class="keyword">protected</span>: <span class="comment">// members</span>
<a name="l00157"></a>00157
<a name="l00158"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#a1219a011a5e0ec59c67a5a873d81986c">00158</a> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#a1219a011a5e0ec59c67a5a873d81986c" title="Residue index (i.e., internal index in an OBMol)">_idx</a>;
<a name="l00159"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#abdc35302d8b2ddbbd0cb48de079527eb">00159</a> <span class="keywordtype">char</span> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#abdc35302d8b2ddbbd0cb48de079527eb" title="Chain ID.">_chain</a>;
<a name="l00160"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#ad719c79a18fbf14911233bb6e6119370">00160</a> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#ad719c79a18fbf14911233bb6e6119370" title="Amino Acid key ID -- see SetResidueKeys()">_aakey</a>;
<a name="l00161"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#aa09358b69ef09f768b7316011e53af22">00161</a> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#aa09358b69ef09f768b7316011e53af22" title="Residue key ID -- see SetResidueKeys()">_reskey</a>;
<a name="l00162"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#ad8397c5248306c4a2ea1aa0b79539cbb">00162</a> std::string <a class="code" href="classOpenBabel_1_1OBResidue.shtml#ad8397c5248306c4a2ea1aa0b79539cbb" title="Residue number (i.e., in file) 23, 1B, etc.">_resnum</a>;
<a name="l00163"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#ae5b2a83968919b021e1189020fe3492a">00163</a> std::string <a class="code" href="classOpenBabel_1_1OBResidue.shtml#ae5b2a83968919b021e1189020fe3492a" title="Residue text name.">_resname</a>;
<a name="l00164"></a>00164
<a name="l00165"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#af48bc2090137ce8be5ab8b86125734b7">00165</a> std::vector<bool> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#af48bc2090137ce8be5ab8b86125734b7" title="Is a given atom a HETAM.">_hetatm</a>;
<a name="l00166"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#a520b293262a31a65c78c69b6177f871c">00166</a> std::vector<std::string> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#a520b293262a31a65c78c69b6177f871c" title="Residue atom text IDs.">_atomid</a>;
<a name="l00167"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#abfa0f02c4ad4146e7250fb38a89b9387">00167</a> std::vector<OBAtom*> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#abfa0f02c4ad4146e7250fb38a89b9387" title="List of OBAtom in this residue.">_atoms</a>;
<a name="l00168"></a><a class="code" href="classOpenBabel_1_1OBResidue.shtml#a51fea0daea9bfeed01133d1a7376523a">00168</a> std::vector<unsigned int> <a class="code" href="classOpenBabel_1_1OBResidue.shtml#a51fea0daea9bfeed01133d1a7376523a" title="List of serial numbers.">_sernum</a>;
<a name="l00169"></a>00169 <span class="comment">// Now in OBBase</span>
<a name="l00170"></a>00170 <span class="comment">// std::vector<OBGenericData*> _vdata; //!< Custom data</span>
<a name="l00171"></a>00171 }; <span class="comment">// OBResidue</span>
<a name="l00172"></a>00172
<a name="l00174"></a><a class="code" href="namespaceOpenBabel.shtml#aa52bc907b6b29c913a85671c48ff8ad7">00174</a> <span class="keyword">typedef</span> std::vector<OBResidue*>::iterator <a class="code" href="namespaceOpenBabel.shtml#aa52bc907b6b29c913a85671c48ff8ad7" title="A standard iterator over a vector of residues.">OBResidueIterator</a>;
<a name="l00175"></a>00175
<a name="l00177"></a>00177 <span class="comment">// Global Definitions</span>
<a name="l00179"></a>00179 <span class="comment"></span>
<a name="l00180"></a><a class="code" href="residue_8h.shtml#af72e45130420babf67aa701a0f2361ea">00180</a> <span class="preprocessor">#define MAXSETNO 40</span>
<a name="l00181"></a><a class="code" href="residue_8h.shtml#aa6e701e58282da3200ddee70740f8514">00181</a> <span class="preprocessor"></span><span class="preprocessor">#define MAXELEM 1024</span>
<a name="l00182"></a><a class="code" href="residue_8h.shtml#abd6045b55ead8f29d9593e79e6b20575">00182</a> <span class="preprocessor"></span><span class="preprocessor">#define MINELEM 29</span>
<a name="l00183"></a><a class="code" href="residue_8h.shtml#a45404c3c762f1e48cf9294137747f1cd">00183</a> <span class="preprocessor"></span><span class="preprocessor">#define MAXRES 100</span>
<a name="l00184"></a><a class="code" href="residue_8h.shtml#ad165362f7dc704f2cce3cd6042b1bf8f">00184</a> <span class="preprocessor"></span><span class="preprocessor">#define MINRES 54</span>
<a name="l00185"></a>00185 <span class="preprocessor"></span>
<a name="l00187"></a>00187 <span class="comment">// Amino Acid Definitions</span>
<a name="l00189"></a>00189 <span class="comment"></span>
<a name="l00190"></a><a class="code" href="residue_8h.shtml#acbd780fc4669b841a7276586d67ddf64">00190</a> <span class="preprocessor">#define AA_ALA (1<<1)</span>
<a name="l00191"></a><a class="code" href="residue_8h.shtml#a3a65bcd18f44e26589016ff41428f0a0">00191</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_GLY (1<<2)</span>
<a name="l00192"></a><a class="code" href="residue_8h.shtml#a2d96e78e1a4c654b33e9471beeba679b">00192</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_LEU (1<<3)</span>
<a name="l00193"></a><a class="code" href="residue_8h.shtml#a59f4f029a5efe4a064af0d5227f3575e">00193</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_SER (1<<4)</span>
<a name="l00194"></a><a class="code" href="residue_8h.shtml#a64db4c00cf7b9f65d0740a17aa92f3ad">00194</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_VAL (1<<5)</span>
<a name="l00195"></a><a class="code" href="residue_8h.shtml#a73be07941593cf4dee06381eb9e8d4ec">00195</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_THR (1<<6)</span>
<a name="l00196"></a><a class="code" href="residue_8h.shtml#aa2cace6a35d85c6c07d3b29458364d67">00196</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_LYS (1<<7)</span>
<a name="l00197"></a><a class="code" href="residue_8h.shtml#a7cb13635ee79481033fa95e5ee7473c5">00197</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_ASP (1<<8)</span>
<a name="l00198"></a><a class="code" href="residue_8h.shtml#a81bd31461dfef9ea47b6a6c0e499c67d">00198</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_ILE (1<<9)</span>
<a name="l00199"></a><a class="code" href="residue_8h.shtml#a9b8b12ea3de893e6aec5cfad94cdf9bc">00199</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_ASN (1<<10)</span>
<a name="l00200"></a><a class="code" href="residue_8h.shtml#a044ba5442e570f91ca5cabfb9d59ca45">00200</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_GLU (1<<11)</span>
<a name="l00201"></a><a class="code" href="residue_8h.shtml#a791cad4be9329845f0d23f3ac7551cac">00201</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_PRO (1<<12)</span>
<a name="l00202"></a><a class="code" href="residue_8h.shtml#a9f6b30f3263fc6e3d2de4f47b851c351">00202</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_ARG (1<<13)</span>
<a name="l00203"></a><a class="code" href="residue_8h.shtml#ae0bd04534ad63d21ee9de7a3f288613f">00203</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_PHE (1<<14)</span>
<a name="l00204"></a><a class="code" href="residue_8h.shtml#a05eef182a93ec035da937e64e8c79d55">00204</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_GLN (1<<15)</span>
<a name="l00205"></a><a class="code" href="residue_8h.shtml#a6b20546672e17982d23a25ff7625ce95">00205</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_TYR (1<<16)</span>
<a name="l00206"></a><a class="code" href="residue_8h.shtml#a1bc509536035301392332c0de9ab8aec">00206</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_HIS (1<<17)</span>
<a name="l00207"></a><a class="code" href="residue_8h.shtml#a70a48ac94735e7fb582b395cce129708">00207</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_CYS (1<<18)</span>
<a name="l00208"></a><a class="code" href="residue_8h.shtml#a6a43afd99246a857fe34871d37f26759">00208</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_MET (1<<19)</span>
<a name="l00209"></a><a class="code" href="residue_8h.shtml#ad6480f8f77e8333fc965b401ade7cb37">00209</a> <span class="preprocessor"></span><span class="preprocessor">#define AA_TRP (1<<20)</span>
<a name="l00210"></a>00210 <span class="preprocessor"></span>
<a name="l00212"></a>00212 <span class="comment">// Amino Acid Property Definitions</span>
<a name="l00214"></a><a class="code" href="residue_8h.shtml#ad0102ffb4251a575e30bcc9c82640568">00214</a> <span class="comment"></span><span class="preprocessor">#define IS_ACIDIC(x) ((x) & ((AA_ASP)|(AA_GLU)))</span>
<a name="l00215"></a><a class="code" href="residue_8h.shtml#ae1e0a74844fba69f265ed18994c366fa">00215</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_ACYCLIC(x) ((x) & ((AA_ALA)|(AA_GLY)|(AA_LEU)|(AA_SER)| \</span>
<a name="l00216"></a>00216 <span class="preprocessor"> (AA_VAL)|(AA_THR)|(AA_LYS)|(AA_ASP)| \</span>
<a name="l00217"></a>00217 <span class="preprocessor"> (AA_ILE)|(AA_ASN)|(AA_GLU)|(AA_GLN)| \</span>
<a name="l00218"></a>00218 <span class="preprocessor"> (AA_CYS)|(AA_MET)))</span>
<a name="l00219"></a><a class="code" href="residue_8h.shtml#a5407c4c4fed8b2e03e07ace4379376a2">00219</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_ALIPHATIC(x) ((x) & ((AA_ALA)|(AA_GLY)|(AA_ILE)|(AA_LEU)| \</span>
<a name="l00220"></a>00220 <span class="preprocessor"> (AA_VAL)))</span>
<a name="l00221"></a><a class="code" href="residue_8h.shtml#a0833e2541862321b0a128611cd507aed">00221</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_AROMATIC(x) ((x) & ((AA_HIS)|(AA_PHE)|(AA_TRP)|(AA_TYR)))</span>
<a name="l00222"></a><a class="code" href="residue_8h.shtml#a911b7c8587c0a77ae27297188baba909">00222</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_BASIC(x) ((x) & ((AA_ARG)|(AA_HIS)|(AA_LYS)))</span>
<a name="l00223"></a><a class="code" href="residue_8h.shtml#a4b794a166f593c12a4666c5d0926ecce">00223</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_BURIED(x) ((x) & ((AA_ALA)|(AA_CYS)|(AA_ILE)|(AA_LEU)| \</span>
<a name="l00224"></a>00224 <span class="preprocessor"> (AA_MET)|(AA_PHE)|(AA_TRP)|(AA_VAL)))</span>
<a name="l00225"></a><a class="code" href="residue_8h.shtml#a6de20f8021d3fe291d7df9b0280f5708">00225</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_CHARGED(x) ((x) & ((AA_ASP)|(AA_GLU)|(AA_ARG)|(AA_HIS)| \</span>
<a name="l00226"></a>00226 <span class="preprocessor"> (AA_LYS)))</span>
<a name="l00227"></a><a class="code" href="residue_8h.shtml#a208d8016e94d434647a6fda192114051">00227</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_CYCLIC(x) ((x) & ((AA_HIS)|(AA_PHE)|(AA_PRO)|(AA_TRP)| \</span>
<a name="l00228"></a>00228 <span class="preprocessor"> (AA_TYR)))</span>
<a name="l00229"></a><a class="code" href="residue_8h.shtml#a229161883298b5c9973d510941b74770">00229</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_HYDROPHOBIC(x) ((x) & ((AA_ALA)|(AA_LEU)|(AA_VAL)|(AA_ILE)| \</span>
<a name="l00230"></a>00230 <span class="preprocessor"> (AA_PRO)|(AA_PHE)|(AA_MET)|(AA_TRP)))</span>
<a name="l00231"></a><a class="code" href="residue_8h.shtml#a8b3042a9a691681f6a7d3ca0bc90e85f">00231</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_LARGE(x) ((x) & ((AA_ARG)|(AA_PHE)|(AA_GLN)|(AA_TYR)| \</span>
<a name="l00232"></a>00232 <span class="preprocessor"> (AA_HIS)|(AA_LEU)|(AA_LYS)|(AA_ILE)| \</span>
<a name="l00233"></a>00233 <span class="preprocessor"> (AA_GLU)|(AA_MET)|(AA_TRP)))</span>
<a name="l00234"></a><a class="code" href="residue_8h.shtml#ab21e6aa772e2e6acd6ce83522831e1fe">00234</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_MEDIUM(x) ((x) & ((AA_VAL)|(AA_THR)|(AA_ASP)|(AA_ASN)| \</span>
<a name="l00235"></a>00235 <span class="preprocessor"> (AA_PRO)|(AA_CYS)))</span>
<a name="l00236"></a><a class="code" href="residue_8h.shtml#a3555aacea9ec76fb75462d9c34c1d75f">00236</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_NEGATIVE(x) ((x) & ((AA_ASP)|(AA_GLU)))</span>
<a name="l00237"></a><a class="code" href="residue_8h.shtml#a6f2bb96fb9fedd983223254e18b0d7ba">00237</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_NEUTRAL(x) ((x) & ((AA_ALA)|(AA_GLY)|(AA_LEU)|(AA_SER)| \</span>
<a name="l00238"></a>00238 <span class="preprocessor"> (AA_VAL)|(AA_THR)|(AA_PHE)|(AA_GLN)| \</span>
<a name="l00239"></a>00239 <span class="preprocessor"> (AA_TYR)|(AA_HIS)|(AA_CYS)|(AA_MET)| \</span>
<a name="l00240"></a>00240 <span class="preprocessor"> (AA_TRP)|(AA_ILE)|(AA_ASN)|(AA_PRO)))</span>
<a name="l00241"></a><a class="code" href="residue_8h.shtml#a870aea211c05e420ef3f293a7afd0f42">00241</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_POLAR(x) ((x) & ((AA_ASP)|(AA_ILE)|(AA_ASN)|(AA_GLU)| \</span>
<a name="l00242"></a>00242 <span class="preprocessor"> (AA_SER)|(AA_THR)|(AA_ARG)|(AA_GLN)| \</span>
<a name="l00243"></a>00243 <span class="preprocessor"> (AA_CYS)|(AA_HIS)))</span>
<a name="l00244"></a><a class="code" href="residue_8h.shtml#a3c594c53b3c8bc2eb0431274f2b1daf6">00244</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_POSITIVE(x) ((x) & ((AA_ARG)|(AA_HIS)|(AA_LYS)))</span>
<a name="l00245"></a><a class="code" href="residue_8h.shtml#aca9631ebb84f110f91613324f7a4a5c2">00245</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_SMALL(x) ((x) & ((AA_ALA)|(AA_GLY)|(AA_SER)))</span>
<a name="l00246"></a><a class="code" href="residue_8h.shtml#a09182c0d3d81338d341d791ed3b2ba09">00246</a> <span class="preprocessor"></span><span class="preprocessor">#define IS_SURFACE(x) ((x) & ((AA_THR)|(AA_LYS)|(AA_ASP)|(AA_ILE)| \</span>
<a name="l00247"></a>00247 <span class="preprocessor"> (AA_ASN)|(AA_GLU)|(AA_PRO)|(AA_ARG)| \</span>
<a name="l00248"></a>00248 <span class="preprocessor"> (AA_GLY)|(AA_SER)|(AA_GLN)|(AA_TYR)| \</span>
<a name="l00249"></a>00249 <span class="preprocessor"> (AA_HIS)))</span>
<a name="l00250"></a>00250 <span class="preprocessor"></span>
<a name="l00252"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml">00252</a> <span class="keyword">namespace </span>OBAminoAcidProperty
<a name="l00253"></a>00253 {
<a name="l00254"></a>00254 <span class="keyword">enum</span>
<a name="l00255"></a>00255 {
<a name="l00256"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a045438be0be67b01c340bd1f994bbfec">00256</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a045438be0be67b01c340bd1f994bbfec">ACIDIC</a> = 0,
<a name="l00257"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a3533460e8020bee4abc333477d0e7f17">00257</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a3533460e8020bee4abc333477d0e7f17">ACYCLIC</a> = 1,
<a name="l00258"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57ad1df9ce0f3d960bb2e16fe134985fab4">00258</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57ad1df9ce0f3d960bb2e16fe134985fab4">ALIPHATIC</a> = 2,
<a name="l00259"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a15dd7ce1ada8f3f0998d9b945f340d7c">00259</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a15dd7ce1ada8f3f0998d9b945f340d7c">AROMATIC</a> = 3,
<a name="l00260"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a13c45196813cb44e6e81e9c48a5ec1b4">00260</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a13c45196813cb44e6e81e9c48a5ec1b4">BASIC</a> = 4,
<a name="l00261"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a435f418ed46a1d0999290dcdcb3e25d4">00261</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a435f418ed46a1d0999290dcdcb3e25d4">BURIED</a> = 5,
<a name="l00262"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57abe2f55540ce4c31da37839f49cbfac00">00262</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57abe2f55540ce4c31da37839f49cbfac00">CHARGED</a> = 6,
<a name="l00263"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a41ec9818e6db8b3150502ce92f911478">00263</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a41ec9818e6db8b3150502ce92f911478">CYCLIC</a> = 7,
<a name="l00264"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a6f7f04043d462824a62e3c1e78757554">00264</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a6f7f04043d462824a62e3c1e78757554">HYDROPHOBIC</a> = 8,
<a name="l00265"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a716db5c72140446e5badac4683610310">00265</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a716db5c72140446e5badac4683610310">LARGE</a> = 9,
<a name="l00266"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a5340ec7ecef6cc3886684a3bd3450d64">00266</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a5340ec7ecef6cc3886684a3bd3450d64">MEDIUM</a> = 10,
<a name="l00267"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a62d66a51fa7574c652597716f7709865">00267</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a62d66a51fa7574c652597716f7709865">NEGATIVE</a> = 11,
<a name="l00268"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57af46d14eb9d5d71afc9f6e747689fcb56">00268</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57af46d14eb9d5d71afc9f6e747689fcb56">NEUTRAL</a> = 12,
<a name="l00269"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57aa54fd87899b2d83f2a08232393e732fd">00269</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57aa54fd87899b2d83f2a08232393e732fd">POLAR</a> = 13,
<a name="l00270"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a03d440bbbfb042afc85347f994b44fb5">00270</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57a03d440bbbfb042afc85347f994b44fb5">POSITIVE</a> = 14,
<a name="l00271"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57aea5e596a553757a677cb4da4c8a1f935">00271</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57aea5e596a553757a677cb4da4c8a1f935">SMALL</a> = 15,
<a name="l00272"></a><a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57aec3093f5673be2548cc7091279b429e2">00272</a> <a class="code" href="namespaceOpenBabel_1_1OBAminoAcidProperty.shtml#ab04a0655cd1e3bcac5e8f48c18df1a57aec3093f5673be2548cc7091279b429e2">SURFACE</a> = 16
<a name="l00273"></a>00273 };
<a name="l00274"></a>00274 }
<a name="l00275"></a>00275
<a name="l00277"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml">00277</a> <span class="keyword">namespace </span>OBResidueAtomProperty
<a name="l00278"></a>00278 {
<a name="l00279"></a>00279 <span class="keyword">enum</span>
<a name="l00280"></a>00280 {
<a name="l00281"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388af1519f8b65e8ac7cabeff04fab6feb17">00281</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388af1519f8b65e8ac7cabeff04fab6feb17">ALPHA_CARBON</a> = 0,
<a name="l00282"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a92449404d5407a5fcba9b08eba9b6286">00282</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a92449404d5407a5fcba9b08eba9b6286">AMINO_BACKBONE</a> = 1,
<a name="l00283"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a3edc1b372333c6e852a7755d55428efb">00283</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a3edc1b372333c6e852a7755d55428efb">BACKBONE</a> = 2,
<a name="l00284"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a506edfc16921cd59e8ad817b4181a9b8">00284</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a506edfc16921cd59e8ad817b4181a9b8">CYSTEINE_SULPHUR</a> = 3,
<a name="l00285"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a7169e1889cc3ff355aeac7d83121531b">00285</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a7169e1889cc3ff355aeac7d83121531b">LIGAND</a> = 4,
<a name="l00286"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a2505e9d847c6234e636e78bee5021e2a">00286</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a2505e9d847c6234e636e78bee5021e2a">NUCLEIC_BACKBONE</a> = 5,
<a name="l00287"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388ad415a6edd238b178db4423b0e5173fea">00287</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388ad415a6edd238b178db4423b0e5173fea">SHAPELY_BACKBONE</a> = 6,
<a name="l00288"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388adb37da8dc34f7af4130ea41feacbfbeb">00288</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388adb37da8dc34f7af4130ea41feacbfbeb">SHAPELY_SPECIAL</a> = 7,
<a name="l00289"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a2c8fa426da706f246136cb9a6bf85327">00289</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a2c8fa426da706f246136cb9a6bf85327">SIDECHAIN</a> = 8,
<a name="l00290"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a8fe602c74d1a6111677d39fe163cb90b">00290</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueAtomProperty.shtml#a385c44f6fb256e5716a2302a5b940388a8fe602c74d1a6111677d39fe163cb90b">SUGAR_PHOSPHATE</a> = 9
<a name="l00291"></a>00291 };
<a name="l00292"></a>00292 }
<a name="l00293"></a>00293
<a name="l00295"></a>00295 <span class="comment">// some of these are invalid or troublesome in scripting interfaces</span>
<a name="l00296"></a>00296 <span class="comment">// so they are removed by the #ifndef SWIG parts</span>
<a name="l00297"></a>00297 <span class="comment">// (otherwise ignore them for C++ use)</span>
<a name="l00298"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml">00298</a> <span class="keyword">namespace </span>OBResidueIndex
<a name="l00299"></a>00299 {
<a name="l00300"></a>00300 <span class="keyword">enum</span>
<a name="l00301"></a>00301 {
<a name="l00302"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da95cd078b64d9f9d6f3c20404d8f66c28">00302</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da95cd078b64d9f9d6f3c20404d8f66c28">ALA</a> = 0,
<a name="l00303"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da94d7ff13bcdd51eea2c1da5c264ca4c4">00303</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da94d7ff13bcdd51eea2c1da5c264ca4c4">GLY</a> = 1,
<a name="l00304"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daad47ce001ed8754f397999b58d3b50cf">00304</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daad47ce001ed8754f397999b58d3b50cf">LEU</a> = 2,
<a name="l00305"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dac5a5cfdbc76418f74f2a427c51d1c774">00305</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dac5a5cfdbc76418f74f2a427c51d1c774">SER</a> = 3,
<a name="l00306"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da990a2861a2fe6b95a4008a9ec07ab519">00306</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da990a2861a2fe6b95a4008a9ec07ab519">VAL</a> = 4,
<a name="l00307"></a>00307 <span class="preprocessor">#ifndef SWIGPERL</span>
<a name="l00308"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad481a610bd2db6b97d40ddcd9abbd04a">00308</a> <span class="preprocessor"></span> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad481a610bd2db6b97d40ddcd9abbd04a">THR</a> = 5,
<a name="l00309"></a>00309 <span class="preprocessor">#endif</span>
<a name="l00310"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daeb525f323eeaf7903e901db58a9aae1f">00310</a> <span class="preprocessor"></span> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daeb525f323eeaf7903e901db58a9aae1f">LYS</a> = 6,
<a name="l00311"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da3a997c98204251b1b9c571abd95a2de8">00311</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da3a997c98204251b1b9c571abd95a2de8">ASP</a> = 7,
<a name="l00312"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dabac1d11107315b23b4548e52617d22e7">00312</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dabac1d11107315b23b4548e52617d22e7">ILE</a> = 8,
<a name="l00313"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da24f096b0a2f1d9ca16f1c4415fab1ea7">00313</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da24f096b0a2f1d9ca16f1c4415fab1ea7">ASN</a> = 9,
<a name="l00314"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da44b0f0665a037c7e6dda002f070714d2">00314</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da44b0f0665a037c7e6dda002f070714d2">GLU</a> = 10,
<a name="l00315"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da7d60bffdf68936b5011970a02c818b7c">00315</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da7d60bffdf68936b5011970a02c818b7c">PRO</a> = 11,
<a name="l00316"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa08ab92d27d76b8b77a5f4d551ced4a2">00316</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa08ab92d27d76b8b77a5f4d551ced4a2">ARG</a> = 12,
<a name="l00317"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da370d7d793d7cadf5c4ea4e7489585782">00317</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da370d7d793d7cadf5c4ea4e7489585782">PHE</a> = 13,
<a name="l00318"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa64a718f3dd04ec08cd9eececba8e6f5">00318</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa64a718f3dd04ec08cd9eececba8e6f5">GLN</a> = 14,
<a name="l00319"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da3b209f766341ee7459956538bc5da1de">00319</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da3b209f766341ee7459956538bc5da1de">TYR</a> = 15,
<a name="l00320"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da0ca996226a243b3b9721eee1690da354">00320</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da0ca996226a243b3b9721eee1690da354">HIS</a> = 16,
<a name="l00321"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da11ae67f062b9f1661a0af31240f3d231">00321</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da11ae67f062b9f1661a0af31240f3d231">CYS</a> = 17,
<a name="l00322"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dae06932408cafd29884daf8533ba507fb">00322</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dae06932408cafd29884daf8533ba507fb">MET</a> = 18,
<a name="l00323"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da43621631ca67d05d566cc33fa005845f">00323</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da43621631ca67d05d566cc33fa005845f">TRP</a> = 19,
<a name="l00324"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da06964cf1ec93e904888af9e55f733df6">00324</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da06964cf1ec93e904888af9e55f733df6">ASX</a> = 20,
<a name="l00325"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da2ffaba14518e15947f81c385b742df6a">00325</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da2ffaba14518e15947f81c385b742df6a">GLX</a> = 21,
<a name="l00326"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad22aa98eb439fd84fbce7e3f7a892ef8">00326</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad22aa98eb439fd84fbce7e3f7a892ef8">PCA</a> = 22,
<a name="l00327"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da300bdd72e3fad3a13bab36e28bbcac8a">00327</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da300bdd72e3fad3a13bab36e28bbcac8a">HYP</a> = 23,
<a name="l00328"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da42a4ade1acd55a49164099104990e09f">00328</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da42a4ade1acd55a49164099104990e09f">A</a> = 24,
<a name="l00329"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da739ce3f516592d245d16fd8a3893472c">00329</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da739ce3f516592d245d16fd8a3893472c">C</a> = 25,
<a name="l00330"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da2fe993340f6abb2234e543cd427df70b">00330</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da2fe993340f6abb2234e543cd427df70b">G</a> = 26,
<a name="l00331"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da21f40778b7db9343a6ca75ec2c41ccce">00331</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da21f40778b7db9343a6ca75ec2c41ccce">T</a> = 27,
<a name="l00332"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dac461e84f27bbb236874e1011cd66031f">00332</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dac461e84f27bbb236874e1011cd66031f">U</a> = 28,
<a name="l00333"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daf8182d551cf57debc5fead16a93ec46a">00333</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daf8182d551cf57debc5fead16a93ec46a">UPLUS</a> = 29,
<a name="l00334"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad091b8e376f7cf432dc367e1eda65e85">00334</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad091b8e376f7cf432dc367e1eda65e85">I</a> = 30,
<a name="l00335"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da87cce1545888017ea8ccdb90cbefef3d">00335</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da87cce1545888017ea8ccdb90cbefef3d">_1MA</a> = 32,
<a name="l00336"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dafdb7077f9cff515c183bbec809bb9cf7">00336</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dafdb7077f9cff515c183bbec809bb9cf7">_5MC</a> = 32,
<a name="l00337"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da1010792fba00c85ec7ec5d1d753abb03">00337</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da1010792fba00c85ec7ec5d1d753abb03">OMC</a> = 33,
<a name="l00338"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da19f6a068dd917f11ccc878a973505ded">00338</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da19f6a068dd917f11ccc878a973505ded">_1MG</a> = 34,
<a name="l00339"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da98b694ee150582643498f5ee6cd0f9e1">00339</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da98b694ee150582643498f5ee6cd0f9e1">_2MG</a> = 35,
<a name="l00340"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da42bf50879c502811d9759db270ae9991">00340</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da42bf50879c502811d9759db270ae9991">M2G</a> = 36,
<a name="l00341"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da45243b7ef01549aeb1d2659913017cf9">00341</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da45243b7ef01549aeb1d2659913017cf9">_7MG</a> = 37,
<a name="l00342"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dadc587d0e935dcd0411626b7da376cec4">00342</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dadc587d0e935dcd0411626b7da376cec4">OMG</a> = 38,
<a name="l00343"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da3ad448987ac281048d4558c4a6d4459a">00343</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da3ad448987ac281048d4558c4a6d4459a">YG</a> = 39,
<a name="l00344"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da9aec1ef1e85d8476079d841b5c3d12e6">00344</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da9aec1ef1e85d8476079d841b5c3d12e6">H2U</a> = 40,
<a name="l00345"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dabe2be73b8c2c65fc720b8e54e484c7fe">00345</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dabe2be73b8c2c65fc720b8e54e484c7fe">_5MU</a> = 41,
<a name="l00346"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da7e518bbcbf5874dd82df44794b0b50e2">00346</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da7e518bbcbf5874dd82df44794b0b50e2">PSU</a> = 42,
<a name="l00347"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da822987746a55a3436f5a30502f32d7b5">00347</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da822987746a55a3436f5a30502f32d7b5">UNK</a> = 43,
<a name="l00348"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da7c6322d06ffff6c8d3bf3c0b3ea3210e">00348</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da7c6322d06ffff6c8d3bf3c0b3ea3210e">ACE</a> = 44,
<a name="l00349"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa809654855caa62449850d9122fd77a8">00349</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa809654855caa62449850d9122fd77a8">FOR</a> = 45,
<a name="l00350"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da34e3c6a2fb8e37a28f02728c48e38801">00350</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da34e3c6a2fb8e37a28f02728c48e38801">HOH</a> = 46,
<a name="l00351"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dabe1fb75d33b890e4d2b985e7601afabf">00351</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dabe1fb75d33b890e4d2b985e7601afabf">DOD</a> = 47,
<a name="l00352"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa6a22622ddba92ae4172f8e5dd056370">00352</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035daa6a22622ddba92ae4172f8e5dd056370">SO4</a> = 48,
<a name="l00353"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da8be984115f521339b04bf60340651664">00353</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da8be984115f521339b04bf60340651664">PO4</a> = 49,
<a name="l00354"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da713023b44f020a4922d6ed25c196eebb">00354</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da713023b44f020a4922d6ed25c196eebb">NAD</a> = 50,
<a name="l00355"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad722f47ae7e525e2d9680a55800995a2">00355</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dad722f47ae7e525e2d9680a55800995a2">COA</a> = 51,
<a name="l00356"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dac8aeed951dea0c630a06a9c1cba5fe87">00356</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035dac8aeed951dea0c630a06a9c1cba5fe87">NAP</a> = 52,
<a name="l00357"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da909002bfb278911ff711c2ab422309c2">00357</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueIndex.shtml#abc5c98fcc1211af2b80116dd6e0a035da909002bfb278911ff711c2ab422309c2">NDP</a> = 53
<a name="l00358"></a>00358 };
<a name="l00359"></a>00359 }
<a name="l00360"></a>00360
<a name="l00362"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml">00362</a> <span class="keyword">namespace </span>OBResidueProperty
<a name="l00363"></a>00363 {
<a name="l00364"></a>00364 <span class="keyword">enum</span>
<a name="l00365"></a>00365 {
<a name="l00366"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a92735ceb34f797e8b31e95818697542a">00366</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a92735ceb34f797e8b31e95818697542a">AMINO</a> = 0,
<a name="l00367"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8ae8cb4d69045ca2704dfff6c28eb579a6">00367</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8ae8cb4d69045ca2704dfff6c28eb579a6">AMINO_NUCLEO</a> = 1,
<a name="l00368"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a365f90d646c6babcf18884439364d0fb">00368</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a365f90d646c6babcf18884439364d0fb">COENZYME</a> = 2,
<a name="l00369"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8ae875d295370fe613c6b422d0ed5a3a0a">00369</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8ae875d295370fe613c6b422d0ed5a3a0a">ION</a> = 3,
<a name="l00370"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a9ed11fa43eaab3cb44b9a9f0146c5042">00370</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a9ed11fa43eaab3cb44b9a9f0146c5042">NUCLEO</a> = 4,
<a name="l00371"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a8b89fd9e5a9e8c681b15b27479408bd6">00371</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a8b89fd9e5a9e8c681b15b27479408bd6">PROTEIN</a> = 5,
<a name="l00372"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8aad86ad6c6ee78f9148631741ee62988e">00372</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8aad86ad6c6ee78f9148631741ee62988e">PURINE</a> = 6,
<a name="l00373"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a56d4eb6af97d0baa17e24d4d56cd02c9">00373</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a56d4eb6af97d0baa17e24d4d56cd02c9">PYRIMIDINE</a> = 7,
<a name="l00374"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a9d6b5b185a7e651e4835d64e0cc35d25">00374</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a9d6b5b185a7e651e4835d64e0cc35d25">SOLVENT</a> = 8,
<a name="l00375"></a><a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a9ac7d5e5851d7a2bc186a1c3341589f6">00375</a> <a class="code" href="namespaceOpenBabel_1_1OBResidueProperty.shtml#ac36f475ca5b446f4fde4c9b90bec77c8a9ac7d5e5851d7a2bc186a1c3341589f6">WATER</a> = 9
<a name="l00376"></a>00376 };
<a name="l00377"></a>00377 }
<a name="l00378"></a>00378
<a name="l00380"></a>00380 <span class="comment">// Global Variables</span>
<a name="l00382"></a>00382 <span class="comment"></span>
<a name="l00383"></a><a class="code" href="namespaceOpenBabel.shtml#a1c64f54dc7b18535a4e9cc581199e26a">00383</a> EXTERN <span class="keywordtype">char</span> <a class="code" href="namespaceOpenBabel.shtml#a1c64f54dc7b18535a4e9cc581199e26a">Residue</a>[<a class="code" href="residue_8h.shtml#a45404c3c762f1e48cf9294137747f1cd">MAXRES</a>][4];
<a name="l00384"></a><a class="code" href="namespaceOpenBabel.shtml#ada1d79ef0dec356ea0ae9c1d4e654ca2">00384</a> EXTERN <span class="keywordtype">char</span> <a class="code" href="namespaceOpenBabel.shtml#ada1d79ef0dec356ea0ae9c1d4e654ca2">ElemDesc</a>[<a class="code" href="residue_8h.shtml#aa6e701e58282da3200ddee70740f8514">MAXELEM</a>][4];
<a name="l00385"></a><a class="code" href="namespaceOpenBabel.shtml#af4a6dc069703276b9476ce6b7c5f018e">00385</a> EXTERN <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="namespaceOpenBabel.shtml#af4a6dc069703276b9476ce6b7c5f018e">ResNo</a>;
<a name="l00386"></a><a class="code" href="namespaceOpenBabel.shtml#a508adcc5794ff87b21a2e5fc0d752b17">00386</a> EXTERN <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="namespaceOpenBabel.shtml#a508adcc5794ff87b21a2e5fc0d752b17">ElemNo</a>;
<a name="l00387"></a>00387 } <span class="comment">// end namespace OpenBabel</span>
<a name="l00388"></a>00388
<a name="l00389"></a>00389 <span class="preprocessor">#endif</span>
<a name="l00390"></a>00390 <span class="preprocessor"></span>
</pre></div></div>
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