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<title>What's New in Version 2.1</title>
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<div class="title">What's New in Version 2.1 </div> </div>
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<div class="textblock"><p>Throughout the API documentation, new classes and methods are indicated with a disclaimer "Since: version 2.1." Documentation, in general should be more thorough and complete.</p>
<p>One major change is that the library uses the same header <code>#include</code> paths as external code. This documentation attempts to uniformly use the correct style, e.g.: <code>#include <<a class="el" href="mol_8h.shtml" title="Handle molecules. Declarations of OBMol, OBAtom, OBBond, OBResidue. (the main header for Open Babel)...">openbabel/mol.h</a>></code></p>
<p>Another major change was to increase the indexing of atoms and bonds. Previously only 2^16 atoms or bonds were possible.</p>
<p>The OBNodeBase, OBEdgeBase, and OBGraphBase classes were deprecated. Typedef declarations provide backwards compatibility by mapping to <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml" title="Bond class.">OBBond</a>, and <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>, respectively.</p>
<p>In addition, this page gives a general list of additions to the library.</p>
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<li><a class="el" href="obiter_8h.shtml" title="STL-style iterators for Open Babel.">obiter.h</a> - Additional iterators, including breadth-first and depth-first iterators for atoms in <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>, convenience iterators for rings, angles, torsions, and 1-4 non-bonded atom pair interactions.</li>
<li><a class="el" href="classOpenBabel_1_1OBGenericData.shtml" title="Base class for generic data.">OBGenericData</a> - Generic data is now inherited through <a class="el" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a> for most types, including <a class="el" href="classOpenBabel_1_1OBAtom.shtml" title="Atom class.">OBAtom</a>, <a class="el" href="classOpenBabel_1_1OBBond.shtml" title="Bond class.">OBBond</a>, <a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a>, <a class="el" href="classOpenBabel_1_1OBResidue.shtml" title="Residue information.">OBResidue</a>, <a class="el" href="classOpenBabel_1_1OBReaction.shtml" title="Used to store chemical reactions (i.e., reactants -> products)">OBReaction</a>, and <a class="el" href="classOpenBabel_1_1OBGrid.shtml" title="A base grid class.">OBGrid</a>.</li>
<li><a class="el" href="classOpenBabel_1_1OBForceField.shtml" title="Base class for molecular mechanics force fields.">OBForceField</a> - Generic interface to molecular mechanics force fields, including Ghemical (Tripos-like) methods, and ultimately others such as MM2, MMFF94, etc.</li>
<li>pluginiter.h - Generic interface to "plugin" classes, including force fields, and fingerprints.</li>
<li><a class="el" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> - General cleanup.</li>
<li><a class="el" href="classOpenBabel_1_1matrix3x3.shtml" title="Represents a real 3x3 matrix.">matrix3x3</a> - General cleanup.</li>
<li><a class="el" href="classOpenBabel_1_1OBMol.shtml" title="Molecule Class.">OBMol</a> - Copy and assignment now copy associated <a class="el" href="classOpenBabel_1_1OBGenericData.shtml" title="Base class for generic data.">OBGenericData</a> objects.</li>
<li><a class="el" href="classOpenBabel_1_1OBResidueData.shtml" title="Table of common biomolecule residues (for PDB or other files).">OBResidueData</a> - Now available for public use, rather than left as private to PDB format.</li>
<li><a class="el" href="classOpenBabel_1_1OBSetData.shtml" title="Used to store arbitrary attribute/set relationships. Should be used to store a set of OBGenericData b...">OBSetData</a> - Hierarchical sets of generic data.</li>
<li><a class="el" href="classOpenBabel_1_1LineEndingExtractor.shtml" title="Replaces CRLF (DOS) and CR (Mac OS 9) line endings by LF (POSIX)">LineEndingExtractor</a> - New class to correct DOS and Classic Mac line endings to UNIX-style newline characters. </li>
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