PURPOSE: Use this script to list all selected residues to the standard output. Note, this script only lists residues in which all the atoms of that residue have been selected.

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

USAGE: From DS Client: Make a selection of any residues or amino acids in a 3D Window. From the Files Explorer, double-click on the list_selected_residues.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.
From a MS Windows command prompt: Type

"\\bin\\perl.bat" list_selected_residues.pl

From a Linux command prompt: Type

"\\bin\\perl.sh" list_selected_residues.pl

Note, should have been saved with residue selections otherwise not output will appear.

REQUIREMENTS: Input 3D Window or .msv file must contain selected residues or amino acids.

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 message will be reported in the Output portion of the Script Window:

A:SER14
A:VAL15
A:LYS16
A:GLU17
A:PHE18
A:LEU19
A:ALA20
A:LYS21
A:ALA22

The attached .zip contains:
1. A README.txt
2. The list_selected_residues.pl DiscoveryScript
3. A sample input file called 1u7e.msv which has 9 residues already selected and is ready to have list_selected_residues.pl executed