[Xplor-nih] Calculation of palindromic DNA sequence

[Silke Johannsen, Anorganisch-Chemisches Inst.]

Hello,
I want to calculate a DNA duplex structure with a palindromic sequence from 
NMR data, means I have the NOE restraints only from half of the duplex. In 
my case the center is not a normal Watson-Crick base pair but two modified 
bases, which coordinate linear a metal ion. At first I just duplicated the 
NOE restraints for the others, but the structures looked really bad. So the 
idea was to calculate the upper half, copy it for the lower one and set it 
in the right way together. Is there any possibility to do so with xplor NIH? 
And can I optimize the whole structure afterwards?


Thanks

Silke