I need a superimpose program!

Aaron s_aarono at EDUSERV.ITS.UNIMELB.EDU.AU
Wed Mar 6 20:10:52 EST 1996


> I need a program to superimpose one molecule on another (or subsets
> thereof) and calculate the best fit for the two superimposed regions.
> We have been using the superimpose function in Insight.  Does X-PLOR
> have a function to do this?  Does any one know of any stand-alone
> programs that do it?

You can do this in O using the lsq_explicit option, which lets you
choose residues in each molecule to be used in the calculation,
and gives you the RMSD of the two structures.

Alternatively, you could use POLYPOSE, which is in the CCP4 
suite.

Hope this helps,

Aaron.



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