From: Jim Procter
Sequence Reference Annotation +
++ Sequence reference annotation is created from 3D structure + data, and from the results of sequence based prediction of + secondary structure and disordered region + prediction methods. +
Interactive Alignment Annotation
Annotation rows are added using the Annotation Label diff --git a/help/html/features/chimera.html b/help/html/features/chimera.html index e866597..236701a 100644 --- a/help/html/features/chimera.html +++ b/help/html/features/chimera.html @@ -133,6 +133,8 @@ atoms in the displayed structures. For comprehensive details of Chimera's comman they are insertions (relative to the associated sequence in the alignment) and grey if they are N or C terminal flanks outside the region mapped to the alignment window's sequence. +
"Structure" Preferences tab added in Jalview 2.8.2
Process secondary structure from PDB - if selected, then structure information -read from PDB will be processed to derive secondary structure annotation. -
Use RNAView for secondary structure - if selected, the RNAView service will be -automatically called to derive secondary structure information. -
Add secondary structure annotation to alignment - if selected, PDB secondary structure -annotation will be shown on the alignment when available. -
Add Temperature Factor annotation to alignment - if selected, PDB Temperature Factor -annotation will be shown on the alignment when available. +read from PDB will be processed and annotation added to associated sequences. +
Use RNAView for secondary structure - if selected, the pyRNA RNAView service (https://github.com/fjossinet/PyRNA) will be +called to derive secondary structure information for RNA chains. +
Add secondary structure annotation to alignment - if selected, Jmol's implementation DSSP will be used to add annotation to polypeptide chains in the structure. +
Add Temperature Factor annotation to alignment - if selected, values extracted from the Temperature Factor +column for the backbone atoms in the PDB file will be extracted as annotation lines shown on the alignment.
Default structure viewer - choose JMOL or CHIMERA for viewing 3D structures.
Path to Chimera program - Optional, as Jalview will search standard installation paths for Windows, Linux or MacOS. -If you have installed Chimera in a non-standard location, you can specify it here. Enter the full path to the Chimera executable program. +If you have installed Chimera in a non-standard location, you can specify it here, by entering the full path to the Chimera executable program. +Double-click this field to open a file chooser dialog.
diff --git a/help/html/features/viewingpdbs.html b/help/html/features/viewingpdbs.html index 8fc557e..75a5c9c 100755 --- a/help/html/features/viewingpdbs.html +++ b/help/html/features/viewingpdbs.html @@ -24,14 +24,26 @@Viewing PDB Structures
- -Jalview can view protein structures associated with a sequence -via the "Structure→" submenu from a -sequence's pop-up menu.
-A Jmol viewer has been included since Jalview 2.3. Jalview 2.8.2 added support for Chimera, -provided this has been separately installed. Choice of default viewer is configurable in the Preferences Structure tab. - -The following menu entries are provided for viewing structure data
+
+ Jalview can view protein structures associated with a sequence via the + "Structure→" submenu from a sequence's pop-up menu. +
+ The + Jmol viewer has been included since Jalview + 2.3. Jalview 2.8.2 included support for + Chimera, 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 the Annotation from Structure page for + more information. +
+The following menu entries are provided for viewing structure data
+ Working with annotation from 3D structure data +
++ Jalview can process PDB data associated with sequences to display + values extracted from the Temperature Factor column for + corresponding sites, and secondary structure from DSSP or RNAView (as + appropriate). +
+
+ Extracting data from PDB files
Annotation is
+ created for structure files retrieved directly from the PDB loaded
+ from the file system (via the Structure→Associate
+ Structure...→From file option, or when displayed via the View
+ Structures Menu.
Structure annotation is not automatically
+ added to an alignment, but any available structure annotation rows for
+ the current selection or a particular sequence can be added via the Add
+ Reference Annotation in the Selection and Sequence
+ ID sub-menus of the Sequence ID Panel's popup menu.
Please
+ note:Protein structures are analysed
+ in situ, but Jalview employs a web service to process RNA
+ structures which can cause long delays if your internet connection is
+ slow.
+
+ The Annotations + alignment menu provides settings useful for controlling the display + of secondary structure annotation. +
+
+ Shading sequences by associated structure annotation
The
+ annotation colouring dialog (opened by the Colour→By
+ Annotation option) allows sequences with associated secondary
+ structure data to be shaded according to secondary structure type.
+ Once the dialog is opened, select the Per Sequence option and
+ then choose Secondary structure from the dropdown menu.
When
+ colouring alignments by secondary structure, two modes can be
+ employed. The default is to shade sequences with the same colour as
+ the secondary structure glyph. If, however, original colours
+ is selected and another colourscheme has already been applied, then
+ only portions of the sequence with defined secondary structure will be
+ shaded with the previously applied scheme.
+
+ Configuration options for processing PDB files
+ Occasionally, you may wish to disable secondary structure processing.
+ Configuration options in the Structure tab in the Tools→Preferences
+ dialog allow the processing of structure data to be disabled, or
+ selectively enabled. For more information, take a look at the documentation for the structure panel.
+
+ The display of secondary structure data was introduced in + Jalview 2.8.2, and is made possible by Jalview's use of Jmol's DSSP implementation, based on the + original Kabsch + and Sander algorithm ported by Robbie P. Joosten and + colleagues, and a client for Fabrice Jossinet's + pyRNA services that was developed by Anne Menard, Jim Procter and + Yann Ponty as part of the Jalview Summer of Code 2012. + +
+ + diff --git a/help/html/menus/popupMenu.html b/help/html/menus/popupMenu.html index 511b85f..63bb815 100755 --- a/help/html/menus/popupMenu.html +++ b/help/html/menus/popupMenu.html @@ -41,7 +41,7 @@ not be accessible when in 'Cursor Mode' (toggled with the F2 key).Support for accessing JABAWS servers was introduced in Jalview 2.6.
+Option for adding JABAWS servers which fails validation +was introduced from version 2.8.2