Hi, In xplor-nih's marvin code, I just divide the peaks into distance bins, based on their relative intensities. Specifically, the most intense 20% of peaks get distance bounds of 1.8 - 2.7 A. The next most intense 30% of peaks get bounds of 1.8 - 3.3 A. The next most intense 30% of peaks get bounds of 1.8 - 5.0 A. The least-intense 20% of peaks get bounds of 1.8 - 6.0 A.
Dan Garrett provided this method to me. Hope this helps. --JK On Dec 8, 2006, at 10:55 AM, Wenyong Tong wrote: > > Hi , > > This is what I also want to know. > > Also there is a Sparky tool-noe2xplor.py which can > output the Xplor-NIH distance restrains on the website > of Sparky. I dont know whether it is helpful. I am > going to try. > > Wenyong > > --- gil sal <gil_salgado at yahoo.com> wrote: > >> Hello, >> I need some help in the following problem. >> >> How can we calibrate the peak volumes to >> proton-proton distances in xplor-NIH? >> The output data from sparky does not have such >> calibration...prople from sparky forum recommended >> me to use Aria or Cyana....but I only have >> xplor-NIH. >> >> please let me know if any of you know how to do in >> combining sparky data treatment with xplor >> calculations. >> cheers >> >> >> --------------------------------- >> Want to start your own business? Learn how on Yahoo! >> Small Business.> > _______________________________________________ >> Xplor-nih mailing list >> Xplor-nih at nmr.cit.nih.gov >> http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih >> > > > > > ______________________________________________________________________ > ______________ > Yahoo! Music Unlimited > Access over 1 million songs. > http://music.yahoo.com/unlimited > _______________________________________________ > Xplor-nih mailing list > Xplor-nih at nmr.cit.nih.gov > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
