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DireX - Low-resolution structure refinement
 
DireX allows for efficient geometry-based conformational sampling of protein structures under experimental restraints.  DireX combines prior structural information with experimental data through the Deformable Elastic Network (DEN) approach which drastically reduces over-fitting.
 
Experimental restraints which can be used in the current version are: 
  • Electron density map   (obtained e.g. from X-ray crystallography, Electron microscopy, or SAXS)
  • Distance restraints (e.g. from NMR or FRET experiments)
To get a first impression: Watch a movie of fitting  Ca-ATPase into a 10 A electron density map.
    
 



 

by Gunnar F. Schröder   -  last updated 11/7/2007