|Tutorials - Simultaneous Multi-Component Registration|
Multiple atomic structure may be simultaneous docked inside a cryo-EM map using our molecular modeling and visualization software Sculptor. Based on a genetic algorithm, our method MOSAEC, was enhanced with tabu-search and parallel computing strategies and was implemented as described in the flowchart below:
Details regarding this implementation can be found in the article Rusu and Birmanns, JSB, Vol 170, April 2010, Pages 164-171, available here.
In the following we provide a tutorial step by step on how to perform the simultaneous registration in sculptor. A simple scenario is presented here, in which two atomic structures are simultaneously docked inside a simulated cryo-EM map, that was low-passed filtered to a resolution of 10A. First download the following files:
Select the atomic structures and the volumetric map (note the orange outline on the file name):
Select the menu item Docking>Simultaneous Docking > Start to start a Ga run:
A dialog box will show with the GA parameters:
set up the parameters. Typically the resolution, the number of iterations, population size need to be ajusted to reflect the problem. The basic setting can be set up from :
But more advanced settings are also available in the 'advance settings tab'
Launch the run by pushing the Execute button:
As the GA is running the status bar displays the current generation and the time required to evaluate one generation:
MOSAEC may be stopped at any moment by pushing the 'Docking>Simultaneoous Docking>Stop' Button:
See the tutorial video: