<p>
Jalview can process PDB data associated with sequences to display
values extracted from the <em>Temperature Factor</em> column for
- corresponding sites, and secondary structure from DSSP or RNAView
- (as appropriate).
+ corresponding sites, and secondary structure from DSSP. For computationally determined structures, jalview will show
+ model quality data encoded in the temperature factor column as <em>AlphaFold Reliability</em> (PLDDT) or <em>Model
+ Quality</em> as appropriate.
</p>
<p>
<strong>Extracting data from PDB files<br /></strong>Annotation is
the <strong>Add Reference Annotation</strong> in the <strong>Selection</strong>
and <strong>Sequence ID</strong> sub-menus of the Sequence ID
Panel's popup menu.<br /> <em>Please note:</em>Protein structures
- are analysed <em>in situ</em>, but Jalview employs a web service to
- process RNA structures which can cause long delays if your internet
- connection is slow.
+ are analysed <em>in situ</em>.
</p>
<p>
The <a href="../menus/alwannotation.html"><em>Annotations</em>
alignment menu</a> provides settings useful for controlling the
- display of secondary structure annotation.
- </p>
+ display of sequence-associated annotation. To compare several tracks from different structures for one or more
+ sequences, use 'sort by label' - which will also display PDB and Chain IDs for secondary structure and temperature
+ factor/quality annotation tracks for easier identification.
+ </p>
<p>
<strong>Shading sequences by associated structure
annotation<br />
</strong>The annotation colouring dialog (opened by the <strong>Colour→By
- Annotation</strong> option) allows sequences with associated secondary
+ Annotation</strong> option) or by right-clicking a particular annotation tracks's label allows sequences with
+ associated secondary
structure data to be shaded according to secondary structure type.
Once the dialog is opened, select the <em>Per Sequence</em> option
and then choose <em>Secondary structure</em> from the dropdown menu.<br />When
- <!-- JAL-4274 --> Command line options and configurable bitmap export preferences for height, width and scale factor
- <!-- JAL-4307 --> Show or hide ligands in a Jmol structure view via View Ligands submenu
-### Improved support for working with computationally determined models
+### Improved support for working with structures and computationally determined models
- <!-- JAL-3895 --> Alphafold red/orange/yellow/green colourscheme for structures
- <!-- JAL-4095 --> Interactive picking of low pAE score regions
- <!-- JAL-4027 --> contact matrix datatype in Jalview
- <!-- JAL-4124 --> Store/Restore PAE data and visualisation settings from Jalview Project
- <!-- JAL-4281 --> Store and restore adjustable ID margin and annotation panel height in Jalview projects
- <!-- JAL-4083 --> Multiple residue sidechain highlighting in structure viewers from PAE mouseovers
+- <!-- JAL-4147 --> Per-structure and chain shown when annotation shown sorted by label enabling secondary structure and temperature factor scores from different chains and structures for the same sequence to be visually compared.
+
### Jalview on the command line
- <!-- JAL-4160,JAL-629,JAL-4262,JAL-4265, --> New command line argument framework allowing flexible batch processing, import of structures, pae matrices and other sequence associated data, and alignment and structure figure generation.