This Mover optimizes the membrane position and orientation around the protein (protein is fixed, membrane is movable) using the high-resolution membrane scorefunction (mpframework_smooth_fa_2012). It samples membrane depths from +/- 10A around the starting depth (as computed from trans-membrane spans and coordinates) in 0.1A steps. It also samples angles in 0.5 degree steps around the starting orientation within a range of +/- 45 degrees along the following axes in an independent manner: x, y, xy, -xy. The sampling is brute-force and therefore the outcome is deterministic.
The following options are available within the RosettaScript interface:
sfxn - String - Provide the score function weights file.
score_best - Real - Provide the best score.
starting_z - Real - Provide the starting z value for center search.
stepsize_z - Real - Provide the stepsize z value for center search.
stepsize_angle - Real - Provide stepsize angle for normal search.
| Flag | Description |
|---|---|
-mp::setup::spanfiles <spanfile> |
Add spanfiles when registering options from the Command Line |
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