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
	15608	1ymo	6477	cing	1-original	3	XPLOR/CNS	planarity

!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
   group select  (store1 and (resi 27))  weigh=300.0 end
   group select  (store1 and (resi 28))  weigh=300.0 end
   group select  (store1 and (resi 29))  weigh=300.0 end
   group select  (store1 and (resi 30))  weigh=300.0 end
   group select  (store1 and (resi 31))  weigh=300.0 end
   group select  (store1 and (resi 32))  weigh=300.0 end
   group select  (store1 and (resi 33))  weigh=300.0 end
   group select  (store1 and (resi 34))  weigh=300.0 end
   group select  (store1 and (resi 35))  weigh=300.0 end
   group select  (store1 and (resi 36))  weigh=300.0 end
   group select  (store1 and (resi 37))  weigh=300.0 end
   group select  (store1 and (resi 38))  weigh=300.0 end
   group select  (store1 and (resi 39))  weigh=300.0 end
   group select  (store1 and (resi 40))  weigh=300.0 end
   group select  (store1 and (resi 41))  weigh=300.0 end
   group select  (store1 and (resi 42))  weigh=300.0 end
   group select  (store1 and (resi 43))  weigh=300.0 end
   group select  (store1 and (resi 44))  weigh=300.0 end
   group select  (store1 and (resi 45))  weigh=300.0 end
   group select  (store1 and (resi 46))  weigh=300.0 end
   group select  (store1 and (resi 47))  weigh=300.0 end
   
!{* bases kept planar to one another *}
   group select ( (store1 and (resi 1 or resi 29) ) ) weigh=3.0 end
   group select ( (store1 and (resi 2 or resi 28) ) ) weigh=3.0 end
   group select ( (store1 and (resi 3 or resi 27) ) ) weigh=3.0 end
   group select ( (store1 and (resi 4 or resi 26) ) ) weigh=3.0 end
   group select ( (store1 and (resi 5 or resi 25) ) ) weigh=3.0 end
   group select ( (store1 and (resi 6 or resi 24) ) ) weigh=3.0 end
   group select ( (store1 and (resi 38 or resi 23) ) ) weigh=3.0 end
   group select ( (store1 and (resi 39 or resi 22) ) ) weigh=3.0 end
   group select ( (store1 and (resi 40 or resi 21) ) ) weigh=3.0 end
   group select ( (store1 and (resi 41 or resi 20) ) ) weigh=3.0 end 
   group select ( (store1 and (resi 42 or resi 19) ) ) weigh=3.0 end 
   group select ( (store1 and (resi 43 or resi 18) ) ) weigh=3.0 end 
   group select ( (store1 and (resi 44 or resi 17) ) ) weigh=3.0 end 
   group select ( (store1 and (resi 45 or resi 16) ) ) weigh=3.0 end 
   group select ( (store1 and (resi 46 or resi 15) ) ) weigh=3.0 end
   group select ( (store1 and (resi 35 or resi 5) ) ) weigh=3.0 end  
   group select ( (store1 and (resi 36 or resi 6) ) ) weigh=3.0 end 
   group select ( (store1 and (resi 37 or resi 7) ) ) weigh=3.0 end
   group select ( (store1 and (resi 38 or resi 8) ) ) weigh=3.0 end
   group select ( (store1 and (resi 23 or resi 8) ) ) weigh=3.0 end
   group select ( (store1 and (resi 22 or resi 9) ) ) weigh=3.0 end
   group select ( (store1 and (resi 39 or resi 9) ) ) weigh=3.0 end
   group select ( (store1 and (resi 21 or resi 10) ) ) weigh=3.0 end
   group select ( (store1 and (resi 40 or resi 10) ) ) weigh=3.0 end

end

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