> I am trying to set up strict NCS but have encountered a problem.
> I have a metal site at the protomer interface which is ligated
> by one of the residues in the symmetry mate.
>> How do I go about telling XPLOR that it is the residue in the
> symmetry mate that is ligated and not the one in the protomer?
>> Thanks for any help,
A quick-and easy way might be to set up ncs-restraints instead of
strict ncs and have a high restraint weight (1000-2000 kcal/A^2).
The metal interactions should then be straight forward. You can use freeR to
see if you are over-fitting. What resolution are you at?
Hope this Helps
Aaron
