PURPOSE: This script is used to convert output poses generated by GOLD docking to individual PDB files each containing one protein-ligand complex. If flexible receptor atoms are incorporated in the docking these will be saved in the individual PDBs. The output pdb files are written to the directory specified in the \\\$JobDir parameter below.

INSTALLATION: Unzip and save ConvertGOLDdockingPoses2PDB.pl to a local directory or location accessible from the Files Explorer

USAGE: From DS Client, right-click on the ConvertGOLDdockingPoses2PDB.pl file and select Open With | Script Window. Modify the adjustable parameters then launch the script using the Run command from the Scripting toolbar.

DISCLAIMER: This custom script is compatible with Discovery Studio 2026 and Discovery Studio Simulation. The code or software provided by Dassault Systemes Biovia Corp. ("BIOVIA") in conjunction with this request is provided under the same license terms and restrictions as the underlying BIOVIA software it is intended to be used with, including license duration and location based restrictions, with the following exceptions. This software is provided on an AS-IS and AS-AVAILABLE basis with no guarantee or warranty, and is not subject to maintenance, updates, or support. When your license to use the underlying BIOVIA software terminates, your license to use this software will also terminate. BIOVIA makes no warranty that this software will be usable for any purpose.