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
ofc: (315)-228-7395
fax: (315)-228-7935
email: [EMAIL PROTECTED]
