Many users have asked for a way to specify a complex selection using a type-in method instead of using the Edit/Select.. GUI.  With the new extensions in DS 3.0 a protocol or script can be created that does just that.

The basic design is to make use of the pop-up dialog box that is generated automatically for all protocols when launched "interactively" from either the toolbar or Tools Explorer.  The pop-up box then accepts your input specification in the form   molecule:chain:residues:atom and applies this selection.

The full value of this is only achieved as a protocol that has been added either to a Tool Panel or to a Toolbar.

Installation:

1) First download the attached protocol.

2) Open the Protocol Explore if it is not already visible  (View/Explorers/Protocols)

3) In the Protocol Explorer open the folder that has your user name  (it is recommended that all custom protocols be placed in this area -- you should not use modify the "Discovery Studio" protocol folder ).

4)  Select the folder you wish to save the new protocol in then right click and select "Import ..."

     Navigate through your file system to where you saved the attached protocol and import this file.

The protocol is now available to DS, but for maximum convenience it should next be added either to a custom tool panel or to a tool bar.  Concact support if you have any problems with this step.  Here is a simple walkthrough of the process for adding a button on a custom tool bar:

5)  In DS  open the Toolbar preferences.

Edit/Preferences/General/Toolbar

     This gui window contains the current available "Commands"  (on the left), the commands entered on the currently active toolbar (at bottom), and some options for creating new toolbars (on the right).

6) in the area on the right side of the GUI window  create a new tool bar by typing a value below "New Toolbar" in the text box then clicking Add.

   call it "Custom"

7) Verify that the text box below Toolbar reads "Custom". Note that the icons and commands that were listed in the original tool bar that was selected now shows a blank or empty toolbar.

8) Using the Commands section find the Protocols folder and your personal sub folder.  Inside this you should see the new protocol you just installed.

     Click on this new protocol  (RegExSelect) and drag it down to the  blank toobar then release the mouse button.  You should now see your new custom tool bar with this one new feature in it.

You can add other custom commands at a later time.  For now  accept this change by clicking on "OK".

The new toolbar should automatically be added to the top toolbar area of DS.  Toolbars can be hidden or displayed by right clicking in the toolbar area and clicking on a toolbar name.

That should do it.

You ar ready to load a molecule into DS and try some selections.  Click the "Show Help" check box in the popup window to see the syntax.  The help for the "Selection" parameter is copied below:

-------------------------------------------------------

Enter a string selection in the form

molecule:chain:residue:atom

Itis valid to set an entire field to a wildcard (*), or regular expression can be used in a single field for more control (the two forms can not be mixed within a field)
*:B:*:CA

:L:10-15:C,CA

*:L:ASP,GLU

or a regular expression can be added for a given field as in:

*:*:*:^C[AB]

Which selects all atom names that begin with C and are followed by an A or B.

________
At present only regular expressons in the ATOM field are supported.