PURPOSE: Minimizes a series of ligand poses using CHARMm. Customized version of the standard DS Ligand Minimization protocol. This version includes Implicit Solvent Methods.

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 Ligand Minimization w Solvent Models.xml file and enter it as the File Name.

REQUIREMENTS: Discovery Studio Embedded Collection. In order make use of all steps listed above, this protocol requires CHARMm or CHARMm Lite licenses.

KEYWORDS: minimization, implicit solvent methods, GB

DISCLAIMER: This custom protocol is compatible with Discovery Studio 2.5 and Pipeline Pilot server version 7.5.2. 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.