PURPOSE: This protocol uses DiscoveryScript to extract ligands from a set of PDB Files. It then removes duplicates and saves the unique ligands in an .sd file.
USAGE: This protocol can be launched from both the Discovery Studio and Pipeline Pilot clients. To install in Discovery Studio only, go to the Protocol Explorer, right-click over the folder you want to add the protocol to, choose Import, navigate to the location of the Extract Ligands from PDB Files.xml file and enter it as the File Name.
REQUIREMENTS: DS Component Collection
DISCLAIMER: This custom protocol is compatible with Discovery Studio 3.1 and Pipeline Pilot server versions 8.5. 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.