<?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.StructureBuilder.StructureBuilder</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.StructureBuilder-module.html">Module StructureBuilder</a> :: Class StructureBuilder </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.StructureBuilder.StructureBuilder-class.html" target="_top">no frames</a>]</span></td></tr> </table> </td> </tr> </table> <!-- ==================== CLASS DESCRIPTION ==================== --> <h1 class="epydoc">Class StructureBuilder</h1><p class="nomargin-top"><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder">source code</a></span></p> <p>Deals with contructing the Structure object. The StructureBuilder class is used by the PDBParser classes to translate a file to 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 name="__init__"></a><span class="summary-sig-name">__init__</span>(<span class="summary-sig-arg">self</span>)</span></td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.__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="_is_completely_disordered"></a><span class="summary-sig-name">_is_completely_disordered</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">residue</span>)</span><br /> Return 1 if all atoms in the residue have a non blanc altloc.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder._is_completely_disordered">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="set_header"></a><span class="summary-sig-name">set_header</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">header</span>)</span></td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.set_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.StructureBuilder.StructureBuilder-class.html#set_line_counter" class="summary-sig-name">set_line_counter</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">line_counter</span>)</span><br /> The line counter keeps track of the line in the PDB file that is being parsed.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.set_line_counter">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.StructureBuilder.StructureBuilder-class.html#init_structure" class="summary-sig-name">init_structure</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">structure_id</span>)</span><br /> Initiate a new Structure object with given id.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_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 href="Bio.PDB.StructureBuilder.StructureBuilder-class.html#init_model" class="summary-sig-name">init_model</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">model_id</span>)</span><br /> Initiate a new Model object with given id.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_model">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.StructureBuilder.StructureBuilder-class.html#init_chain" class="summary-sig-name">init_chain</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">chain_id</span>)</span><br /> Initiate a new Chain object with given id.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_chain">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.StructureBuilder.StructureBuilder-class.html#init_seg" class="summary-sig-name">init_seg</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">segid</span>)</span><br /> Flag a change in segid.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_seg">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.StructureBuilder.StructureBuilder-class.html#init_residue" class="summary-sig-name">init_residue</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">resname</span>, <span class="summary-sig-arg">field</span>, <span class="summary-sig-arg">resseq</span>, <span class="summary-sig-arg">icode</span>)</span><br /> Initiate a new Residue object.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_residue">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.StructureBuilder.StructureBuilder-class.html#init_atom" class="summary-sig-name">init_atom</a>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">name</span>, <span class="summary-sig-arg">coord</span>, <span class="summary-sig-arg">b_factor</span>, <span class="summary-sig-arg">occupancy</span>, <span class="summary-sig-arg">altloc</span>, <span class="summary-sig-arg">fullname</span>, <span class="summary-sig-arg">serial_number</span>=<span class="summary-sig-default">None</span>)</span><br /> Initiate a new Atom object.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_atom">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="set_anisou"></a><span class="summary-sig-name">set_anisou</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">anisou_array</span>)</span><br /> Set anisotropic B factor of current Atom.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.set_anisou">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="set_siguij"></a><span class="summary-sig-name">set_siguij</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">siguij_array</span>)</span><br /> Set standard deviation of anisotropic B factor of current Atom.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.set_siguij">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="set_sigatm"></a><span class="summary-sig-name">set_sigatm</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">sigatm_array</span>)</span><br /> Set standard deviation of atom position of current Atom.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.set_sigatm">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_structure"></a><span class="summary-sig-name">get_structure</span>(<span class="summary-sig-arg">self</span>)</span><br /> Return the structure.</td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.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="set_symmetry"></a><span class="summary-sig-name">set_symmetry</span>(<span class="summary-sig-arg">self</span>, <span class="summary-sig-arg">spacegroup</span>, <span class="summary-sig-arg">cell</span>)</span></td> <td align="right" valign="top"> <span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.set_symmetry">source code</a></span> </td> </tr> </table> </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="set_line_counter"></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">set_line_counter</span>(<span class="sig-arg">self</span>, <span class="sig-arg">line_counter</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.set_line_counter">source code</a></span> </td> </tr></table> <p>The line counter keeps track of the line in the PDB file that is being parsed.</p> <p>Arguments: o line_counter - int</p> <dl class="fields"> </dl> </td></tr></table> </div> <a name="init_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">init_structure</span>(<span class="sig-arg">self</span>, <span class="sig-arg">structure_id</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_structure">source code</a></span> </td> </tr></table> <p>Initiate a new Structure object with given id.</p> <p>Arguments: o id - string</p> <dl class="fields"> </dl> </td></tr></table> </div> <a name="init_model"></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_model</span>(<span class="sig-arg">self</span>, <span class="sig-arg">model_id</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_model">source code</a></span> </td> </tr></table> <p>Initiate a new Model object with given id.</p> <p>Arguments: o id - int</p> <dl class="fields"> </dl> </td></tr></table> </div> <a name="init_chain"></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_chain</span>(<span class="sig-arg">self</span>, <span class="sig-arg">chain_id</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_chain">source code</a></span> </td> </tr></table> <p>Initiate a new Chain object with given id.</p> <p>Arguments: o chain_id - string</p> <dl class="fields"> </dl> </td></tr></table> </div> <a name="init_seg"></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_seg</span>(<span class="sig-arg">self</span>, <span class="sig-arg">segid</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_seg">source code</a></span> </td> </tr></table> <p>Flag a change in segid.</p> <p>Arguments: o segid - string</p> <dl class="fields"> </dl> </td></tr></table> </div> <a name="init_residue"></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_residue</span>(<span class="sig-arg">self</span>, <span class="sig-arg">resname</span>, <span class="sig-arg">field</span>, <span class="sig-arg">resseq</span>, <span class="sig-arg">icode</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_residue">source code</a></span> </td> </tr></table> <pre class="literalblock"> Initiate a new Residue object. Arguments: o resname - string, e.g. "ASN" o field - hetero flag, "W" for waters, "H" for hetero residues, otherwise blanc. o resseq - int, sequence identifier o icode - string, insertion code </pre> <dl class="fields"> </dl> </td></tr></table> </div> <a name="init_atom"></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_atom</span>(<span class="sig-arg">self</span>, <span class="sig-arg">name</span>, <span class="sig-arg">coord</span>, <span class="sig-arg">b_factor</span>, <span class="sig-arg">occupancy</span>, <span class="sig-arg">altloc</span>, <span class="sig-arg">fullname</span>, <span class="sig-arg">serial_number</span>=<span class="sig-default">None</span>)</span> </h3> </td><td align="right" valign="top" ><span class="codelink"><a href="Bio.PDB.StructureBuilder-pysrc.html#StructureBuilder.init_atom">source code</a></span> </td> </tr></table> <p>Initiate a new Atom object.</p> <p>Arguments: o name - string, atom name, e.g. CA, spaces should be stripped o coord - Numeric array (Float0, size 3), atomic coordinates o b_factor - float, B factor o occupancy - float o altloc - string, alternative location specifier o fullname - string, atom name including spaces, e.g. " CA "</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 Mon Sep 15 09:26:36 2008 </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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