This mover adds a single ligand to a membrane pose and reorganizes the FoldTree such that the ligand is anchored to a residue closest to the binding pocket. The membrane residue is anchored to the center-of-mass of the protein.
The following options are available via RosettaScripts:
closest_rsd - Integer - Specify the number of the residue closest to the binding pocket of where the ligand should be anchored to.
ligand_seqpos - Integer - Specify the residue number that the ligand should have.
TODO: add flags for the commandline!
Alford RF, Koehler Leman J, Weitzner BD, Duran A, Tiley DC, Gray JJ (2015). An integrated framework advancing membrane protein modeling and design. PLoS Comput. Biol. - In Press