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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<html>
<head>
  <link href="documentation.css" rel="stylesheet" type="text/css">
  <title>Ghemical User Documentation: Labels</title>
</head>
   <body>
 
<h1>2.1.5 Labeling Atoms and Bonds</h1>
 
<p> Ghemical can add labels to atoms or bonds that indicate one of their
properties. These labels can be added by right clicking on the view window,
selecting  Render-&gt;Rendering Mode and then selecting the type of label
from the list. <br>
 <img src="images/labels_menu.png" vspace="5" width="433" height="416"
 alt="Screenshot of labels menu.">
 </p>
 
<h2>Label Nothing</h2>
 
<p> Label Nothing is the setting for displaying no labels. This can be used
to remove  labels from the molecule that are no longer needed. Label Nothing
is the default  setting. </p>
 
<h2>Label Index</h2>
 
<p> This setting labels each atom with its index number. The index number
is the number that each atom was added to the molecule starting at 0 (ie
the first atom added to the molecule is indexed 0, the second is indexed
1...).  This number is how ghemical refers to the atom internally, and is
used when  ghemical needs for the user to specify a particular atoms, such
as in the  conformational search tools. </p>
 
<h2>Label Charge</h2>
 
<p> This setting labels each atom with an approximiate charge. When an atom 
is initially added it will have a charge of 0. To calculate its charge either
an energy calculation or a geometry optimization must be run first. </p>
 
<h2>Label Element</h2>
 
<p> This setting labels each atom with its one or two letter abbreviation. 
</p>
 
<h2>Label AtomType</h2>
 
<p> This setting labels each atom with its atom type. The first digit represents
the atomic number and the last digit represents the bonding of the atom.
Each atom will be displayed as type 0xffffff until a geometry optimization
or energy calcuation. </p>
  
<h2>Label BondType</h2>
 
<p> This setting labels each bond with its bond type. Single bonds are labeled
with an S, conjugated bonds are labeled with a C, double bonds are labeled
with a D, and triple bonds are labeled with a T. </p>
 
<hr> <br>
 <a href="index.html">Return to index</a> <br>
</body>
</html>