Ryan McKay wrote:
> I'm trying to set up an noe.tbl restraints file for use in cns 1.0.
> I'm trying to set up restraints between backbone
> C=O and a Ca2+ ion.
>> as far as I can tell I've got the protein and the Ca as separate
> segments and in xplor you'd just specifiy
>> assign (reside 1 and name o) (segid A and name 1 and) ...
>> but cns says atom not recognized
Sure about the "name 1" there? Should probably be sufficient to specify
resid and name as defined for the Ca2+ atom in the .mtf file.
Michael
