Xplor Account (xplor at OMEGA.OMRF.UOKHSC.EDU) wrote:
: 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?
: Kim Andersen
:xplor at omega.omrf.uokhsc.edu
I'd recommend my program ProFit (then I guess I would...) It has a very
flexible command driven interface letting you specify zones to fit over;
you can even ask it do do a sequence alignment and fit based on that,
or read in PIR sequence alignment files and fit on zones based on that.
You can then display the RMS over the fitted regions or over other
regions, or by residue. You can also set the atoms to be included in
fitting and display. It also has interactive help...
It's free to academics via my Web page:
http://www.biochem.ucl.ac.uk/~martin/#profit
I do ask you to let me know that you've obtained a copy, basically so
I can let you know about new releases.
Best wishes,
Andrew
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Dr. Andrew C.R. Martin, University College London & SciTech Software
EMAIL: martin at biochem.ucl.ac.uk Tel:(Work) +44(0)171 419 3890
URL: http://www.biochem.ucl.ac.uk/~martin (Home) +44(0)1372 275775
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