Structure Browser shows
the internal structure of the loaded data and is most useful for
displaying protein and DNA structures. Each level of hierarchy is
marked by different icon and corresponding naming of the items in
the tree display. Chain labels contain a chain id, as it appears
in the structure file. If no id is available, the chains are assigned
the default symbol "_". Residue labels contain the residue
name and its number. For DNA, single-letter notation is used, while
for the proteins, residues are labeled with the three-letter amino
acid code.
For small molecules, the browser works
equally well, but usually shows one default chain and one residue.
If a small molecule structure was built from fragments using Builder,
each individual fragment is assigned to a separate residue.
Residues can be renamed (as well as
atoms). However, it's not recommended for amino acids or DNA bases,
since the type of the residue is derived from its name. If an ALA
is changed to AAA, Sirius will no longer recognize it as an amino
acid and will treat it as a ligand or unnatural amino acid. Therefore,
residue renaming should be used with ligands and small molecules.
Also, atom renaming should be used
carefully, since their names typically consist of the element symbol,
followed by number. Use this feature only to correct errors in the
data.
If an item is invisible in the 3D workspace,
it's shown in light gray color. Typically, water molecules found
in protein structures are invisible and belong to one chain (usually,
the last one). Water molecules can be shown by using the option
in Preferences.
The buttons at the lower subpanel provide
access to dialogs to hide/show selected items (Display), render
structure using the available representations (lines, stick, ball/stick
and space-filling), and color the current selection. These choices
are also available from the Action menu in the panel menubar. Any
current selections can be removed by choosing Action ->
Clear selection. Alternatively, clicking anywhere in the
3D workspace or in Sequence Viewer outside of the sequences will
clear selection throughout the application.
|