NMR Restraints Grid |
Result table
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
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