Below are modified versions of the Calculate Mutation Energy (Stability) and Calculate Mutation Energy (Binding) protocols. These protocols take as input a protein structure file and a trajectory file (.dcd). The mutation energy is calculated for each frame in the trajectory and the average mutation energy and Standard Deviation are reported for each unique mutation. The output csv files contain an additional 'frame' column which can be useful for plotting using the 'Color by Data Series' option in the DS chart commands.

USAGE: This protocol can be launched from both the Discovery Studio and Pipeline Pilot clients. To install use the Pipeline Pilot Client, go to the User Explorer Window right-click and choose Import, navigate to the location of the Calculate Mutation Energy (Stability) for trajectory.ppxml or Calculate Mutation Energy (Binding) for trajectory.ppxml file and enter it as the File Name.

DISCLAIMER: This custom protocol is compatible with Discovery Studio 2026 and Pipeline Pilot server version 2026. 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.