From: Jim Procter
Superposing structures based on
- their aligned sequences
If several structures are
- available on the alignment, you may add additional structures to an
- existing Jmol view by selecting their entry in the appropriate
- pop-up menu. Jalview will ask you if you wish to add the structure
- to the existing alignment, and if you do, it will import and
- superimpose the new PDB file using the corresponding positions from
- the alignment. If the alignment is subsequently edited, you can use
- the Jmol→Align menu option from
- the menu bar of the structure view window to superpose the
- structures using the updated alignment.
Sequence
+ their aligned sequences
If several structures are shown
+ in a view, you can superimpose them using the corresponding
+ positions from the alignment via the Jmol→Align
+ menu option from the menu bar of the structure view window.
Sequence
based structure superposition was added in Jalview 2.6
diff --git a/help/html/features/schooser_enter-id.png b/help/html/features/schooser_enter-id.png index f551c50..4af0d53 100644 Binary files a/help/html/features/schooser_enter-id.png and b/help/html/features/schooser_enter-id.png differ diff --git a/help/html/features/schooser_main.png b/help/html/features/schooser_main.png index ab69427..ca793fd 100644 Binary files a/help/html/features/schooser_main.png and b/help/html/features/schooser_main.png differ diff --git a/help/html/features/structurechooser.html b/help/html/features/structurechooser.html index fc71826..785c429 100644 --- a/help/html/features/structurechooser.html +++ b/help/html/features/structurechooser.html @@ -25,14 +25,14 @@
- Structure Chooser + Structure Chooser Dialog Box
- The Structure Chooser interface allows you to interactively select - which PDB structures to view for the currently selected set of + The Structure Chooser allows you to select + 3D structures to view for the currently selected set of sequences. It is opened by selecting the "3D - Structure Data.." option from the Sequence ID panel's option from the Sequence ID panel's pop-up menu. The dialog provides:
@@ -49,11 +49,16 @@Selecting and Viewing Structures
+The drop-down menu offers different options for structure + discovery; the 'Cached' view is shown automatically if existing + structure data has been imported for the selected sequences, and if + none is available, the import PDB/mmCIF file options are shown.
Once one or more structures have been selected, pressing the View - button will import them into Add button will import them a new or existing - structure view. + structure view. When multiple views are available, use the + drop-down menu to pick the target viewer for the structures.
Automated discovery of structure data @@ -89,17 +94,16 @@ criteria (e.g. worst quality rather than best).
-
+
-
The screenshot above shows the Structure Chooser interface
- along with the meta-data of auto-discovered structures for the
- sample alignment. If no structures were
- auto-discovered, options for manually associating PDB records will be shown (see below).
-
+
The screenshot above shows the Structure Chooser displayed after
+ selecting all the sequences in the Jalview example project. If no
+ structures were auto-discovered, options for manually associating
+ PDB records will be shown (see below).
Exploration of meta-data for available structures
Information on each structure available is displayed in columns @@ -109,7 +113,7 @@ Columns' tab and tick the columns which you want to see.
+ style="width: 464px; height: 173px;">
Manual selection/association of PDB files with
Sequences
diff --git a/help/html/features/viewingpdbs.html b/help/html/features/viewingpdbs.html
index 45d979f..b1ad4ba 100755
--- a/help/html/features/viewingpdbs.html
+++ b/help/html/features/viewingpdbs.html
@@ -82,6 +82,7 @@
provided it is installed and can be launched by Jalview. The default
viewer can be configured in the Structure
tab in the Tools→Preferences dialog box.
+
Structure data imported into Jalview can also be processed to display secondary structure and temperature factor annotation. See @@ -89,44 +90,30 @@ for more information.
- After pressing the
- 'View' button in the Structure Chooser
The behaviour of
- the 'View' button depends on the number of structures selected, and
- whether structure views already exist for the selected structures or
- aligned sequences.
+
Controlling where the new structures
+ will be shown
+
The Structure Chooser offers several options
+ for viewing a structure.
New View will open a new
+ structure viewer for the selected structures, but if there are views
+ already open, you can select which one to use, and press the Add
+ button. Jalview can automatically superimpose new structures based
+ on the linked alignments - but if this is not desirable, simple
+ un-tick the Superpose Structures checkbox.
+
If multiple structures are selected, then Jalview will always - create a new structure view. The selected structures will be - imported into this view, and superposed with the matched positions - from the aligned sequences. A message in the structure viewer's - status bar will be shown if not enough aligned columns were - available to perform a superposition.
- If a single PDB structure is selected, one of the
- following will happen:
+ Superposing structures
Jalview superposes structures using
+ the visible portions of any associated sequence alignments. A
+ message in the structure viewer's status bar will be shown if not
+ enough aligned columns were available to perform a superposition.
+ See the Jmol + and Chimera help pages for + more information about their capabilities.
+
Retrieving sequences from the PDB
You can