IUBio GIL .. BIOSCI/Bionet News .. Biosequences .. Software .. FTP

NOESY spectrum prediction

Chunqing Zhao chunqing at csd.uwm.edu
Mon Mar 16 11:51:36 EST 1998

Hi X-plor users:

I am trying to predict NOESY spectrum based on my DNA-drug complex using
X-plor program. I have several questions here.

1. How to get correlation time? I tried grid search program, but I can not
get a correlation time with lowest R value. I even tried the sample in the
program, the R value is going all way down as correlation time is going
longer. I do not know if I made any mistake in my calculation.

2. How to get order parameters? 

3. How to display NOESY spectrum calculated?

Any help would be appreciated


More information about the X-plor mailing list

Send comments to us at archive@iubioarchive.bio.net