NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	7524	1kos R C	4984	cing	1-original	7	XPLOR/CNS	dihedral angle


{* syn/anti restraints for rT54 T Stem/Loop *}

set message=on echo=off end

for $npyranti in (1 2 4 6 7 8 12 13 15) loop pyranti

restraints  dihedral

 scale= 1.0

assign 
   (resid $npyranti and name O4' )
   (resid $npyranti and name C1' )

   (resid $npyranti and (
                   (resname CYT and name N1) or (resname C_H and name N1) or (resname THY and name N1) or (resname URI and name N1)
   ) )
   (resid $npyranti and name C2 )          2.0  180.0 90.0  2
end

end loop pyranti

 

for $npuranti in (3 5 9 14 16 17) loop puranti


restraints  dihedral

 scale= 1.0

assign 
   (resid $npuranti and name O4' )
   (resid $npuranti and name C1' )

   (resid $npuranti and (
                   (resname GUA and name N9) or (resname ADE and name N9)))

   (resid $npuranti and name C2 )          2.0  180.0 90.0  2
end

end loop puranti



for $npursyn in (10) loop pursyn

restraints  dihedral

 scale= 1.0

assign 
   (resid $npursyn and name O4' )
   (resid $npursyn and name C1' )

   (resid $npursyn and (
                   (resname GUA and name N9) or (resname ADE and name N9)))

   (resid $npursyn and name C2 )          2.0    0.0 90.0  2

end

end loop pursyn

set message=on echo=on end