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
	572097	2miy	19698	cing	1-original	5	XPLOR/CNS	unknown

!{* 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' or
  name C10 or name N11 or name H111 or name H112 or
  name H101 or name H102) )

!{* 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
   group select  (store1 and (resi 48))  weigh=300.0 end
   group select  (store1 and (resi 48))  weigh=300.0 end
   group select  (store1 and (resi 49))  weigh=300.0 end
   group select  (store1 and (resi 50))  weigh=300.0 end
   group select  (store1 and (resi 51))  weigh=300.0 end
   group select  (store1 and (resi 52))  weigh=300.0 end
   group select  (store1 and (resi 53))  weigh=300.0 end
   group select  (store1 and (resi 54))  weigh=300.0 end
   group select  (store1 and (resi 55))  weigh=300.0 end
   group select  (store1 and (resi 56))  weigh=300.0 end
   group select  (store1 and (resi 57))  weigh=300.0 end
   group select  (store1 and (resi 58))  weigh=300.0 end
   group select  (store1 and (resi 59))  weigh=300.0 end
   group select  (store1 and (resi -1))  weigh=300.0 end
   
!{* bases kept planar to one another *}
   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 -1 or resi 27) ) ) weigh=3.0 end
   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 9 or resi 51) ) ) weigh=3.0 end
   group select ( (store1 and (resi 17 or resi 52) ) ) weigh=3.0 end
   group select ( (store1 and (resi 16 or resi 53) ) ) weigh=3.0 end
   group select ( (store1 and (resi 15 or resi 54) ) ) weigh=3.0 end
   group select ( (store1 and (resi 14 or resi 55) ) ) weigh=3.0 end
   group select ( (store1 and (resi 13 or resi 56) ) ) weigh=3.0 end
   group select ( (store1 and (resi 37 or resi 48) ) ) weigh=3.0 end
   group select ( (store1 and (resi 38 or resi 47) ) ) weigh=3.0 end
   group select ( (store1 and (resi 39 or resi 46) ) ) weigh=3.0 end
   group select ( (store1 and (resi 40 or resi 45) ) ) weigh=3.0 end
   group select ( (store1 and (resi 59 or resi 19) ) ) weigh=3.0 end
   group select ( (store1 and (resi 52 or resi 10) ) ) weigh=3.0 end
   group select ( (store1 and (resi 51 or resi 18) ) ) weigh=3.0 end

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