NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
11088 | 1qwb | cing | 1-original | 4 | XPLOR/CNS | planarity |
!{* select all base atoms: *} vector identity (store1) (not( name P or name O1P or name O2P or name O5' or name H5T or name H1' or name H2' or name H3' or name H4' or name H5' or name H2'' or name H5'' or name O2' or name H7# or name O3' or name C1' or name C2' or name C3' or name C4' or name C5' or name O4' or name H3T or name HO2' ) ) !write coor output=test.pdb select=(store1) end stop !to test selection !bases are kept flat rest plan init group select (store1 and (resi 1) ) weigh=300.0 end group select (store1 and (resi 2) ) weigh=300.0 end group select (store1 and (resi 3) ) weigh=300.0 end group select (store1 and (resi 4) ) weigh=300.0 end group select (store1 and (resi 5) ) weigh=300.0 end group select (store1 and (resi 6) ) weigh=300.0 end group select (store1 and (resi 7) ) weigh=300.0 end group select (store1 and (resi 8) ) weigh=300.0 end group select (store1 and (resi 9) ) weigh=300.0 end group select (store1 and (resi 10)) weigh=300.0 end group select (store1 and (resi 11)) weigh=300.0 end group select (store1 and (resi 12)) weigh=300.0 end group select (store1 and (resi 13)) weigh=300.0 end group select (store1 and (resi 14)) weigh=300.0 end group select (store1 and (resi 15)) weigh=300.0 end group select (store1 and (resi 16)) weigh=300.0 end group select (store1 and (resi 17)) weigh=300.0 end group select (store1 and (resi 18)) weigh=300.0 end group select (store1 and (resi 19)) weigh=300.0 end group select (store1 and (resi 20)) weigh=300.0 end group select (store1 and (resi 21)) weigh=300.0 end group select (store1 and (resi 22)) weigh=300.0 end group select (store1 and (resi 23)) weigh=300.0 end group select (store1 and (resi 24)) weigh=300.0 end group select (store1 and (resi 25)) weigh=300.0 end group select (store1 and (resi 26)) weigh=300.0 end !bases kept planar to one another group select ( (store1 and (resi 1 or resi 26) ) ) weigh=3.0 end group select ( (store1 and (resi 2 or resi 25) ) ) weigh=3.0 end group select ( (store1 and (resi 3 or resi 24) ) ) weigh=3.0 end group select ( (store1 and (resi 4 or resi 23) ) ) weigh=3.0 end group select ( (store1 and (resi 5 or resi 22) ) ) weigh=3.0 end group select ( (store1 and (resi 6 or resi 21) ) ) weigh=3.0 end group select ( (store1 and (resi 7 or resi 20) ) ) weigh=3.0 end group select ( (store1 and (resi 8 or resi 19) ) ) weigh=3.0 end group select ( (store1 and (resi 18 or resi 19) ) ) weigh=3.0 end group select ( (store1 and (resi 9 or resi 17) ) ) weigh=5.0 end end {*artificial planarity restraints on bases in loop*}
Contact the webmaster for help, if required. Monday, May 13, 2024 7:07:52 AM GMT (wattos1)