PURPOSE: Use these scripts to set Calpha atoms a unique color based on their molecule name and/or chain name.

INSTALLATION INSTRUCTIONS: Save color_calphas_by_chain.pl and/or color_calphas_by_molecule.pl to a local directory or location accessible from the Files Explorer

USAGE: From DS Client: Open a file containing protein(s). From the Files Explorer, double-click on the color_calphas_by_chain.pl or color_calphas_by_molecule.pl to launch either 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 color of the C alpha atoms will be modified so that each molecule or each chain has a unique C alpha color. Note, if the randomly generated colors appear too similar or are for some reason undesirable, simply run the script again to generate new colors.

The attached .zip contains:
1. A README.txt
2. The color_calphas_by_chain.pl DiscoveryScript
3. The color_calphas_by_molecule.pl DiscoveryScript
4. A sample input file called multiple_proteins.msv which is ready to have color_calphas_by_chain.pl and/or color_calphas_by_molecule.pl executed on it