Article ID: 301 - Last Modified: May 9, 2011
How can I automate binding site MD with a truncated protein?
The Python script solvate_binding_site.py creates an output cms file that contains the truncated protein with solvent in a periodic box. After running this script, you can import it into the Desmond GUI and set up simulation variables.
Keywords: Desmond, MD, truncated protein
Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles