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<li><a href="index.html"><span>Main Page</span></a></li>
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<li><a href="annotated.html"><span>Data Structures</span></a></li>
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<h1>writepocket.h</h1><a href="writepocket_8h.html">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001
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<a name="l00002"></a>00002 <span class="comment">/*</span>
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<a name="l00003"></a>00003 <span class="comment"> COPYRIGHT DISCLAIMER</span>
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<a name="l00004"></a>00004 <span class="comment"></span>
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<a name="l00005"></a>00005 <span class="comment"> Vincent Le Guilloux, Peter Schmidtke and Pierre Tuffery, hereby</span>
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<a name="l00006"></a>00006 <span class="comment"> disclaim all copyright interest in the program “fpocket” (which</span>
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<a name="l00007"></a>00007 <span class="comment"> performs protein cavity detection) written by Vincent Le Guilloux and Peter</span>
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<a name="l00008"></a>00008 <span class="comment"> Schmidtke.</span>
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<a name="l00009"></a>00009 <span class="comment"></span>
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<a name="l00010"></a>00010 <span class="comment"> Vincent Le Guilloux 28 November 2008</span>
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<a name="l00011"></a>00011 <span class="comment"> Peter Schmidtke 28 November 2008</span>
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<a name="l00012"></a>00012 <span class="comment"> Pierre Tuffery 28 November 2008</span>
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<a name="l00013"></a>00013 <span class="comment"></span>
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<a name="l00014"></a>00014 <span class="comment"> GNU GPL</span>
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<a name="l00015"></a>00015 <span class="comment"></span>
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<a name="l00016"></a>00016 <span class="comment"> This file is part of the fpocket package.</span>
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<a name="l00017"></a>00017 <span class="comment"></span>
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<a name="l00018"></a>00018 <span class="comment"> fpocket is free software: you can redistribute it and/or modify</span>
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<a name="l00019"></a>00019 <span class="comment"> it under the terms of the GNU General Public License as published by</span>
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<a name="l00020"></a>00020 <span class="comment"> the Free Software Foundation, either version 3 of the License, or</span>
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<a name="l00021"></a>00021 <span class="comment"> (at your option) any later version.</span>
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<a name="l00022"></a>00022 <span class="comment"></span>
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<a name="l00023"></a>00023 <span class="comment"> fpocket is distributed in the hope that it will be useful,</span>
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<a name="l00024"></a>00024 <span class="comment"> but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
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<a name="l00025"></a>00025 <span class="comment"> MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
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<a name="l00026"></a>00026 <span class="comment"> GNU General Public License for more details.</span>
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<a name="l00027"></a>00027 <span class="comment"></span>
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<a name="l00028"></a>00028 <span class="comment"> You should have received a copy of the GNU General Public License</span>
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<a name="l00029"></a>00029 <span class="comment"> along with fpocket. If not, see <http://www.gnu.org/licenses/>.</span>
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<a name="l00030"></a>00030 <span class="comment"></span>
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<a name="l00031"></a>00031 <span class="comment">**/</span>
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<a name="l00032"></a>00032
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<a name="l00033"></a>00033 <span class="preprocessor">#ifndef DH_WRITEPOCKET</span>
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<a name="l00034"></a>00034 <span class="preprocessor"></span><span class="preprocessor">#define DH_WRITEPOCKET</span>
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<a name="l00035"></a>00035 <span class="preprocessor"></span>
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<a name="l00036"></a>00036 <span class="comment">/* ------------------------------INCLUDES------------------------------------ */</span>
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<a name="l00037"></a>00037
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<a name="l00038"></a>00038 <span class="preprocessor">#include <math.h></span>
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<a name="l00039"></a>00039 <span class="preprocessor">#include <stdio.h></span>
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<a name="l00040"></a>00040 <span class="preprocessor">#include <stdlib.h></span>
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<a name="l00041"></a>00041
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<a name="l00042"></a>00042 <span class="preprocessor">#include "<a class="code" href="voronoi_8h.html">voronoi.h</a>"</span>
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<a name="l00043"></a>00043 <span class="preprocessor">#include "<a class="code" href="pocket_8h.html">pocket.h</a>"</span>
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<a name="l00044"></a>00044 <span class="preprocessor">#include "<a class="code" href="writepdb_8h.html">writepdb.h</a>"</span>
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<a name="l00045"></a>00045 <span class="preprocessor">#include "<a class="code" href="utils_8h.html">utils.h</a>"</span>
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<a name="l00046"></a>00046 <span class="preprocessor">#include "<a class="code" href="asa_8h.html">asa.h</a>"</span>
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<a name="l00047"></a>00047
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<a name="l00048"></a>00048 <span class="comment">/* ------------------------- PUBLIC STRUCTURES ------------------------------ */</span>
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<a name="l00049"></a>00049
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<a name="l00050"></a>00050 <span class="comment">/* -----------------------------PROTOTYPES----------------------------------- */</span>
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<a name="l00051"></a>00051
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<a name="l00052"></a>00052 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#5392484596cd363d8322062b67dd3a7f">write_pockets_single_pdb</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out[], <a class="code" href="structs__pdb.html">s_pdb</a> *pdb, <a class="code" href="structc__lst__pockets.html">c_lst_pockets</a> *pockets) ;
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<a name="l00053"></a>00053 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#1702b849e7e173b193d42d92aa45ea14">write_pockets_single_pqr</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out[], <a class="code" href="structc__lst__pockets.html">c_lst_pockets</a> *pockets);
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<a name="l00054"></a>00054 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#e582ef74ed5a193b0eba5b1488f457af">write_mdpockets_concat_pqr</a>(FILE *f, <a class="code" href="structc__lst__pockets.html">c_lst_pockets</a> *pockets);
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<a name="l00055"></a>00055
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<a name="l00056"></a>00056 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#13ed4f98eaa10e2615280d4a6491f30e">write_each_pocket</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out_path[], <a class="code" href="structc__lst__pockets.html">c_lst_pockets</a> *pockets) ;
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<a name="l00057"></a>00057 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#1cd3364bc225d7d762300a6f8f691491">write_pocket_pdb</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out[], <a class="code" href="structs__pocket.html">s_pocket</a> *pocket) ;
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<a name="l00058"></a>00058 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#83b9d39c911e264bc513c19c9908cec4">write_pocket_pqr</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out[], <a class="code" href="structs__pocket.html">s_pocket</a> *pocket) ;
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<a name="l00059"></a>00059
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<a name="l00060"></a>00060 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#2ee381dad55af0f621f92ab393954dbb">write_pdb_atoms</a>(FILE *f, <a class="code" href="structs__atm.html">s_atm</a> *atoms, <span class="keywordtype">int</span> natoms) ;
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<a name="l00061"></a>00061
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<a name="l00062"></a>00062 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#d9402c73726d401c41f6ea05ed0b57ae">write_each_pocket_for_DB</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out_path[], <a class="code" href="structc__lst__pockets.html">c_lst_pockets</a> *pockets,<a class="code" href="structs__pdb.html">s_pdb</a> *pdb);
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<a name="l00063"></a>00063 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#63fcf0fc37e3b75bbfd5dcc5da527c04">write_pocket_pqr_DB</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out[], <a class="code" href="structs__pocket.html">s_pocket</a> *pocket);
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<a name="l00064"></a>00064 <span class="keywordtype">void</span> <a class="code" href="writepocket_8c.html#5074c189f345539195438d6d00fb2e35">write_pocket_pdb_DB</a>(<span class="keyword">const</span> <span class="keywordtype">char</span> out[], <a class="code" href="structs__pocket.html">s_pocket</a> *pocket,<a class="code" href="structs__pdb.html">s_pdb</a> *pdb);
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<a name="l00065"></a>00065
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<a name="l00066"></a>00066 <span class="preprocessor">#endif</span>
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</pre></div></div>
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<hr size="1"><address style="text-align: right;"><small>Generated on Mon Jun 7 16:44:23 2010 for fpocket by
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<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.5.6 </small></address>
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