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Next: Cartesian Coordinates Up: Accessible Surface Area Previous: Requirements

Example

Here the accessible surface area is computed and printed. The results can also be written to a Mathematica file for plotting (see the rmsd plot in Section 6.3). 
surface 
   rh2o=1.6
   mode=access
end
vector show elem ( rmsd ) ( not hydrogen )


Xplor-NIH 2025-03-21