<?xml version="1.0" encoding="ascii"?> <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "DTD/xhtml1-transitional.dtd"> <html xmlns="http://www.w3.org/1999/xhtml" xml:lang="en" lang="en"> <head> <title>Bio.PDB.PDBParser'.PDBParser</title> <link rel="stylesheet" href="epydoc.css" type="text/css" /> <script type="text/javascript" src="epydoc.js"></script> </head> <body bgcolor="white" text="black" link="blue" vlink="#204080" alink="#204080"> <!-- ==================== NAVIGATION BAR ==================== --> <table class="navbar" border="0" width="100%" cellpadding="0" bgcolor="#a0c0ff" cellspacing="0"> <tr valign="middle"> <!-- Tree link --> <th> <a href="module-tree.html">Trees</a> </th> <!-- Index link --> <th> <a href="identifier-index.html">Indices</a> </th> <!-- Help link --> <th> <a href="help.html">Help</a> </th> <th class="navbar" width="100%"></th> </tr> </table> <table width="100%" cellpadding="0" cellspacing="0"> <tr valign="top"> <td width="100%"> <span class="breadcrumbs"> <a href="Bio-module.html">Package Bio</a> :: <a href="Bio.PDB-module.html">Package PDB</a> :: <a href="Bio.PDB.PDBParser%27-module.html">Module PDBParser'</a> :: Class PDBParser </span> </td> <td> <table cellpadding="0" cellspacing="0"> <!-- hide/show private --> <tr><td align="right"><span class="options">[<a href="javascript:void(0);" class="privatelink" onclick="toggle_private();">hide private</a>]</span></td></tr> <tr><td align="right"><span class="options" >[<a href="frames.html" target="_top">frames</a >] | <a href="Bio.PDB.PDBParser%27.PDBParser-class.html" target="_top">no frames</a>]</span></td></tr> </table> </td> </tr> </table> <!-- ==================== CLASS DESCRIPTION ==================== --> <h1 class="epydoc">Class PDBParser</h1><p class="nomargin-top"><span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser">source code</a></span></p> <pre class="base-tree"> object --+ | <strong class="uidshort">PDBParser</strong> </pre> <hr /> <p>Parse a PDB file and return a Structure object.</p> <!-- ==================== INSTANCE METHODS ==================== --> <a name="section-InstanceMethods"></a> <table class="summary" border="1" cellpadding="3" cellspacing="0" width="100%" bgcolor="white"> <tr bgcolor="#70b0f0" class="table-header"> <td colspan="2" class="table-header"> <table border="0" cellpadding="0" cellspacing="0" width="100%"> <tr valign="top"> <td align="left"><span class="table-header">Instance Methods</span></td> <td align="right" valign="top" ><span class="options">[<a href="#section-InstanceMethods" class="privatelink" onclick="toggle_private();" >hide private</a>]</span></td> </tr> </table> </td> </tr> <tr> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a href="Bio.PDB.PDBParser%27.PDBParser-class.html#__init__" class="summary-sig-name">__init__</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">PERMISSIVE</span>=<span class="summary-sig-default">True</span>, <span class="summary-sig-arg">get_header</span>=<span class="summary-sig-default">False</span>, <span class="summary-sig-arg">structure_builder</span>=<span class="summary-sig-default">None</span>, <span class="summary-sig-arg">QUIET</span>=<span class="summary-sig-default">False</span>)</span><br /> The PDB parser call a number of standard methods in an aggregated StructureBuilder object.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser.__init__">source code</a></span> </td> </tr> </table> </td> </tr> <tr class="private"> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a name="_get_header"></a><span class="summary-sig-name">_get_header</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">header_coords_trailer</span>)</span><br /> Get the header of the PDB file, return the rest.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser._get_header">source code</a></span> </td> </tr> </table> </td> </tr> <tr class="private"> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a name="_handle_PDB_exception"></a><span class="summary-sig-name">_handle_PDB_exception</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">message</span>, <span class="summary-sig-arg">line_counter</span>)</span><br /> This method catches an exception that occurs in the StructureBuilder object (if PERMISSIVE), or raises it again, this time adding the PDB line number to the error message.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser._handle_PDB_exception">source code</a></span> </td> </tr> </table> </td> </tr> <tr class="private"> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a name="_parse"></a><span class="summary-sig-name">_parse</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">header_coords_trailer</span>)</span><br /> Parse the PDB file.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser._parse">source code</a></span> </td> </tr> </table> </td> </tr> <tr class="private"> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a name="_parse_coordinates"></a><span class="summary-sig-name">_parse_coordinates</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">coords_trailer</span>)</span><br /> Parse the atomic data in the PDB file.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser._parse_coordinates">source code</a></span> </td> </tr> </table> </td> </tr> <tr> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a name="get_header"></a><span class="summary-sig-name">get_header</span>(<span class="summary-sig-arg">self</span>)</span><br /> Return the header.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser.get_header">source code</a></span> </td> </tr> </table> </td> </tr> <tr> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a href="Bio.PDB.PDBParser%27.PDBParser-class.html#get_structure" class="summary-sig-name">get_structure</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">id</span>, <span class="summary-sig-arg">file</span>)</span><br /> Return the structure.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser.get_structure">source code</a></span> </td> </tr> </table> </td> </tr> <tr> <td width="15%" align="right" valign="top" class="summary"> <span class="summary-type"> </span> </td><td class="summary"> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr> <td><span class="summary-sig"><a name="get_trailer"></a><span class="summary-sig-name">get_trailer</span>(<span class="summary-sig-arg">self</span>)</span><br /> Return the trailer.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser.get_trailer">source code</a></span> </td> </tr> </table> </td> </tr> <tr> <td colspan="2" class="summary"> <p class="indent-wrapped-lines"><b>Inherited from <code>object</code></b>: <code>__delattr__</code>, <code>__format__</code>, <code>__getattribute__</code>, <code>__hash__</code>, <code>__new__</code>, <code>__reduce__</code>, <code>__reduce_ex__</code>, <code>__repr__</code>, <code>__setattr__</code>, <code>__sizeof__</code>, <code>__str__</code>, <code>__subclasshook__</code> </p> </td> </tr> </table> <!-- ==================== PROPERTIES ==================== --> <a name="section-Properties"></a> <table class="summary" border="1" cellpadding="3" cellspacing="0" width="100%" bgcolor="white"> <tr bgcolor="#70b0f0" class="table-header"> <td colspan="2" class="table-header"> <table border="0" cellpadding="0" cellspacing="0" width="100%"> <tr valign="top"> <td align="left"><span class="table-header">Properties</span></td> <td align="right" valign="top" ><span class="options">[<a href="#section-Properties" class="privatelink" onclick="toggle_private();" >hide private</a>]</span></td> </tr> </table> </td> </tr> <tr> <td colspan="2" class="summary"> <p class="indent-wrapped-lines"><b>Inherited from <code>object</code></b>: <code>__class__</code> </p> </td> </tr> </table> <!-- ==================== METHOD DETAILS ==================== --> <a name="section-MethodDetails"></a> <table class="details" border="1" cellpadding="3" cellspacing="0" width="100%" bgcolor="white"> <tr bgcolor="#70b0f0" class="table-header"> <td colspan="2" class="table-header"> <table border="0" cellpadding="0" cellspacing="0" width="100%"> <tr valign="top"> <td align="left"><span class="table-header">Method Details</span></td> <td align="right" valign="top" ><span class="options">[<a href="#section-MethodDetails" class="privatelink" onclick="toggle_private();" >hide private</a>]</span></td> </tr> </table> </td> </tr> </table> <a name="__init__"></a> <div> <table class="details" border="1" cellpadding="3" cellspacing="0" width="100%" bgcolor="white"> <tr><td> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr valign="top"><td> <h3 class="epydoc"><span class="sig"><span class="sig-name">__init__</span>(<span class="sig-arg">self</span>, <span class="sig-arg">PERMISSIVE</span>=<span class="sig-default">True</span>, <span class="sig-arg">get_header</span>=<span class="sig-default">False</span>, <span class="sig-arg">structure_builder</span>=<span class="sig-default">None</span>, <span class="sig-arg">QUIET</span>=<span class="sig-default">False</span>)</span> <br /><em class="fname">(Constructor)</em> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser.__init__">source code</a></span> </td> </tr></table> <p>The PDB parser call a number of standard methods in an aggregated StructureBuilder object. Normally this object is instanciated by the PDBParser object itself, but if the user provides his own StructureBuilder object, the latter is used instead.</p> <p>Arguments:</p> <p>o PERMISSIVE - Evaluated as a Boolean. If false, exceptions in constructing the SMCRA data structure are fatal. If true (DEFAULT), the exceptions are caught, but some residues or atoms will be missing. THESE EXCEPTIONS ARE DUE TO PROBLEMS IN THE PDB FILE!.</p> <p>o structure_builder - an optional user implemented StructureBuilder class.</p> <p>o QUIET - Evaluated as a Boolean. If true, warnings issued in constructing the SMCRA data will be supressed. If false (DEFAULT), they will be shown. These warnings might be indicative of problems in the PDB file!</p> <dl class="fields"> <dt>Overrides: object.__init__ </dt> </dl> </td></tr></table> </div> <a name="get_structure"></a> <div> <table class="details" border="1" cellpadding="3" cellspacing="0" width="100%" bgcolor="white"> <tr><td> <table width="100%" cellpadding="0" cellspacing="0" border="0"> <tr valign="top"><td> <h3 class="epydoc"><span class="sig"><span class="sig-name">get_structure</span>(<span class="sig-arg">self</span>, <span class="sig-arg">id</span>, <span class="sig-arg">file</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.PDBParser%27-pysrc.html#PDBParser.get_structure">source code</a></span> </td> </tr></table> <p>Return the structure.</p> <p>Arguments: o id - string, the id that will be used for the structure o file - name of the PDB file OR an open filehandle</p> <dl class="fields"> </dl> </td></tr></table> </div> <br /> <!-- ==================== NAVIGATION BAR ==================== --> <table class="navbar" border="0" width="100%" cellpadding="0" bgcolor="#a0c0ff" cellspacing="0"> <tr valign="middle"> <!-- Tree link --> <th> <a href="module-tree.html">Trees</a> </th> <!-- Index link --> <th> <a href="identifier-index.html">Indices</a> </th> <!-- Help link --> <th> <a href="help.html">Help</a> </th> <th class="navbar" width="100%"></th> </tr> </table> <table border="0" cellpadding="0" cellspacing="0" width="100%%"> <tr> <td align="left" class="footer"> Generated by Epydoc 3.0.1 on Thu Aug 18 18:19:27 2011 </td> <td align="right" class="footer"> <a target="mainFrame" href="http://epydoc.sourceforge.net" >http://epydoc.sourceforge.net</a> </td> </tr> </table> <script type="text/javascript"> <!-- // Private objects are initially displayed (because if // javascript is turned off then we want them to be // visible); but by default, we want to hide them. 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