PURPOSE: Use this script to create a group for each set of residues which create a helical secondary structure element in the protein.

INSTALLATION INSTRUCTIONS: Save group_helices.pl to a local directory or location accessible from the Files Explorer

USAGE: From DS Client: Open a file containing a protein. From the Files Explorer, double-click on the group_helices.pl to launch the script or right-click on the file and select Open With | Script Window then launch the script using the Run command from the Scripting toolbar.

DISCLAIMER: This custom script is compatible with Discovery Studio 2.0. It is provided "as is" and is NOT supported by Accelrys nor is it warranted for any purpose whatsoever. The user assumes responsibility for any malfunctions or bugs.

EXPECTED RESULTS: When this script is executed on the sample .msv file included in the attachment, the following new groups will be created (and visible from the Hierarchy View or Molecular Data Table):

Helix_1
Helix_2

The attached .zip contains:
1. A README.txt
2. The group_helices.pl DiscoveryScript
3. A sample input file called 1crn.msv which is ready to have group_helices.pl executed on it