James Stroud wrote:
> Hello All,
>
> I have a tough ~3.5 Å (pushing it) MR problem where I have a solution
> of sorts, but because I'm working with a heterodimer of two closely
> related subunits (with two such heterodimers in the ASU) I have a 2**2
> possibilities for the arrangement of these subunits in the ASU. Each
> subunit is composed of two more-or-less independent domains. Basically
> I'm looking for the best possible software to disambiguate this
> problem. I usually use CNS for these problems, but I think I may have
> exhausted its capabilities. I've heard that there have been some
> advances in MR in recent years, but I haven't kept up with all of the
> software. Does anyone have suggestions for packages to try?
>
> James
>
> --
> James Stroud
> UCLA-DOE Institute for Genomics and Proteomics
> Box 951570
> Los Angeles, CA 90095
>
> http://www.jamesstroud.com
>
Phaser and EPMR (now Open-EPMR) are among the best, and EPMR may
actually work better in some cases without high resolution data. We've
solved some really tough nuts to crack with both of these, and they are
pretty fast to boot.
Cheers,
--
------------------------------------------------------------------------
Roger S. Rowlett
Professor
Colgate University Presidential Scholar
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346
tel: (315)-228-7245
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