[ccp4bb]: ramdom displacement of atoms

[Jean-Philippe Cartailler <jp@anx12.bio.uci.edu>]

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Hello all, 

I browsed through the CCP4 collection in hope of finding a program that
could take a set of coordinates, and apply small random displacement of
these coordinates (very much like an MD simulation), but couldn't find
anything.

The modeling/refinement program MAIN (D. Turk) has this option (called
"kick") which is used to "kick" out model bias during refinement where the
phase contribution is strictly from the model.  I'm sure a small program,
or even an awk script, exists for this.  I'd like to avoid having to go
into MAIN everytime I feel the need to do this.  

Any ideas, besides me writing the script, would be great!

thanks all!

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Jean-Philippe Cartailler
Dept. of Molecular Biology and Biochemistry
University of California, Irvine
Hudel Lab, http://anx12.bio.uci.edu/~hudel/

	"When he to whom a person speaks does not understand,
	 and he who speaks does not understand himself, that is
	 metaphysics."

					Voltaire 

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