PURPOSE: The script will identify all “ligands” using the Get ligand command. A ligand is defined as a chain that does not contain amino acids, nucleic acid or water, but does contain a carbon atom. Or a molecule that does not contain chains but does contain a carbon atom.
The carbon atoms of these ligands will be displayed in Blue, the protein as a grey ribbon and all the side chain that are interacting with the ligand(s) will be labelled with their name and numbering and displayed as Ball and Stick.
USAGE: From the DS Client: From the Files Explorer, double-click on the NiceComplex.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 "
From a Linux command prompt: Type "
DISCLAIMER: This custom script is compatible with Discovery Studio 2.1. 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.
