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help with cns

Michael Schmitz schmitz at biophys.uni-duesseldorf.de
Mon Aug 14 16:15:41 EST 2000

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.


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