help with cns

Ryan McKay ryanmckay at
Sat Aug 12 23:39:24 EST 2000


    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........can anyone send me an example of
a restraints file showing how to include a ca2+ noe
from another segment?


More information about the X-plor mailing list