Ghemical User Documentation: Labels

# 2.1.5 Labeling Atoms and Bonds

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->Rendering Mode and then selecting the type of label from the list.

## Label Nothing

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.

## Label Index

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.

## Label Charge

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.

## Label Element

This setting labels each atom with its one or two letter abbreviation.

## Label AtomType

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.

## Label BondType

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.

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