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 subtype
7525 1kos 4984 cing 1-original 8 XPLOR/CNS stereochemistry chirality



{* The following dihedral constraints enforce the correct chirality on
   ribose ring atoms.  *}
set message=on echo=off end

for $nchir in (1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17) loop chiral

restraints  dihedral

 scale= 1.0

assign 
   (resid $nchir and name O4' )
   (resid $nchir 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)
                   or (resname GUA and name N9) or (resname ADE and name N9)
   ) )
   (resid $nchir and name C2' )
   (resid $nchir and name H1' )        500.0  70.0  20.0  2

assign 
   (resid $nchir and name C1' )
   (resid $nchir and name C3' )
   (resid $nchir and name O2' )
   (resid $nchir and name H2'' )       500.0  70.0  20.0  2

assign 
   (resid $nchir and name C2' )
   (resid $nchir and name C4' )
   (resid $nchir and name O3' )
   (resid $nchir and name H3' )        500.0  70.0  20.0  2

assign 
   (resid $nchir and name C3' )
   (resid $nchir and name C5' )
   (resid $nchir and name O4' )
   (resid $nchir and name H4' )        500.0  70.0  20.0  2

assign 
   (resid $nchir and name C4' )
   (resid $nchir and name O5' )
   (resid $nchir and name H5' )
   (resid $nchir and name H5'' )      500.0  70.0  20.0  2

end

end loop chiral



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Sunday, October 21, 2018 7:19:36 PM CDT (wattos1)