PURPOSE: Uses the Dock Proteins (ZDOCK) method to dock a specified Input Receptor Protein against each pdb file in the Input Directory of Ligand Files. The output files are named such that the name includes the Ligand Protein Name and the Receptor file name. If the Top Poses parameter is less than 50 the output poses are also exported as pdb files.
Note, the Input Directory of Ligand Files must be a directory on the server (not the client) machine.
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 Dock Proteins (ZDOCK) Multiple Ligands.xml file and enter it as the File Name.
REQUIREMENTS: Discovery Studio Embedded Collection.
DISCLAIMER: This custom script is compatible with Discovery Studio 2022. 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.