Hi, No, for weird historical reasons, the three numbers in an NOE ASSIgn statement define the upper and lower bounds indirectly. Specifically, the upper bound is the sum of the first and third numbers (in your example, 2.5 + 0.4 = 2.9A), and the lower bound is the difference between the first and third numbers (2.5 - 0.7 = 1.8 A).
Documentation for all the old-style xplor statements is in ($XPLOR_DIR)/doc/htmlman.html --JK On Wednesday, May 28, 2003, at 10:07 PM, Oscar Hur wrote: > Hi > ? > I am trying to understand the atomic details of restraint files?of > XPLOR from Nuclear Magnetic Resonance spectroscopy.? I have not > found?much valuable information on the web that would explain to me > about the restraints format.? Do you have any suggest to a particular > site that would explain the output of XPLOR? > ? > For exmaple, in XPLOR distance restraint files: > assign (resid? 275 and? name HN?? )(resid? 275 and? name HB?? )?? 2.5? > ?0.7? ?0.4 > ? > I would assume that the value of 2.5 is the upper bound and the value > of 0.7 is the lower bound and the value of 0.4 is some kind of > statistical value.? But I have no way to verify it. > ? > Thanks. > ? > Oscar > ? > ? > _______________________________________________ > Xplor-nih mailing list > [email protected] > http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
