X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=help%2Fhtml%2Ffeatures%2Fviewingpdbs.html;h=a4633b548a30e2586d8268878c8d599956b29cd5;hb=c19d2a91ca05e052e3408bf5852d88eb5d0608f1;hp=e18e273bc6e63d17a8266460e4a4915b193850f3;hpb=6ab4ef1cc71ff9d28a21a139db69e4a8351a3fb5;p=jalview.git diff --git a/help/html/features/viewingpdbs.html b/help/html/features/viewingpdbs.html index e18e273..a4633b5 100755 --- a/help/html/features/viewingpdbs.html +++ b/help/html/features/viewingpdbs.html @@ -1,18 +1,165 @@ + * You should have received a copy of the GNU General Public License + * along with Jalview. If not, see . + * The Jalview Authors are detailed in the 'AUTHORS' file. + --> + +PDB Viewing + + +

+ Viewing PDB Structures +

+ Jalview can be used to view protein structures by following the steps + below: +
    +
  1. Select the "3D Structure Data..." option + from a sequence's pop-up + menu to open the Structure + Chooser dialog box. +
      +
    • If one or more structures exists for the given + sequence, the Structure + Chooser dialog will open with them listed in the results + pane. +
    • +
    • However, if no structure was found, the Structure Chooser interface will present options for manual + association of PDB structures. +
    • +
    +
  2. +
  3. Selecting Structures
    If structures + have been discovered, then some will already be selected according + to predefined selection criteria, such as structures with the + highest resolution. Use the drop down menu to select structures + according to different criteria, or, alternatively, choose + structures manually by selecting with the keyboard and mouse. +
      +
    • Viewing Cached Structures
      If you + have previously downloaded structures for your sequences, they + can be viewed by selecting the Cached PDB + Entries option from the drop down menu at the top of the + dialog box.
    • +
  4. +
  5. To view selected structures, click the "View" + button. +
  6. +
+ + 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. +

+ +

+ If a single PDB structure is selected, one of the + following will happen: +

+ + + + +

+ Importing PDB Entries or files in PDB format
+ You can retrieve sequences from the PDB using the Sequence Fetcher. Any sequences retrieved with this service are + automatically associated with their source database entry. For PDB + sequences, simply select PDB as the database and enter your known + PDB id (appended with ':' and a chain code, if desired).
+ Jalview will also read PDB files directly. Simply load in the file + as you would an alignment file. The sequences of any protein or + nucleotide chains will be extracted from the file and viewed in the + alignment window. +

+ +

+ Associating a large number of PDB files to + sequences in an alignment
It is often the case when working + with structure alignments that you will have a directory of PDB + files, and an alignment involving one or more of the structures. If + you drag a number of PDB files onto an alignment in the Jalview + desktop, Jalview will give you the option of associating PDB files + with sequences that have the same filename. This means, for example, + you can automatically associate PDB files with names like '1gaq.pdb' + with sequences that have an ID like '1gaq'.
+ Note: This feature was added in Jalview 2.7 +

+

+ Note for Jalview applet users:
Due to the applet + security constraints, PDB Files can currently only be imported by + cut and paste of the PDB file text into the text box opened by the + 'From File' entry of the structure menu. +
+

+ +

+ Viewing the PDB Residue Numbering
+ Sequences which have PDB entry or PDB file associations are + annotated with sequence features from a group named with the + associated PDB accession number or file name. Each feature gives the + corresponding PDB Residue Number for each mapped residue in the + sequence. The display of these features is controlled through the "View→Sequence + Features" menu item and the Feature + Settings dialog box. +

+ +

+ Outstanding problem with cut'n'pasted + files in Jalview 2.6 and Jalview 2.7
Structures + imported via the cut'n'paste dialog box will not be correctly + highlighted or coloured when they are displayed in structure + views, especially if they contain more than one PDB structure. See + the bug report at http://issues.jalview.org/browse/JAL-623 for + news on this problem.
+

+ + +