RMAP : Search for translated fragment

scale \(F_{{\rm rel}}\) scale factors
maxhkl limits to hkl and \( sin\theta /\lambda \)
select select a subset of atoms in the bdf for \(F_{{\rm cal}}\)
fixatm set atoms to be fixed and translated
bounds set parameters of unit cell to be searched

RMAP Option Code Arg   Def
  Rmap function weight wei w 0 for C or 1 for R 1
  thermal parameter type ove   overall isotropic  
    iso   individual isotropic  
  control on rcode rej n reject rcode = n 1
  printing of hkl & \(F_{{\rm cal}}\) lis q list if F > q 999
    lis -n list first n hkl 0
  printing of RMAP map   print map no
  set \(F_{ obs}\) threshold thr t reject \(F_{{\rm obs}}\) < t 0
  selection of hkl sel n if n =1 all hkl rejected all
        if n =2 alternate hkl used  
  selection of small hkl sth m applies to thr rejects 1
  source of trig functions nos   use library sin/cos  
    sct   use sin/cos table  
  data set number dse n use dataset n 1

scale 1 \(F_{{\rm rel}}\) scale factor  
  2 scale group 1
  3 data set name parent

maxhkl 1-3 max |h|, |k|, |l|  
  4 min sin \(\theta \) / \(\lambda \) 0
  5 max sin \(\theta \) / \(\lambda \) 2

select [a] 1 atom labels of atoms selected from the bdf  

[a] See fixatm line below.

fixatm [a] 1 number of atoms to be treated as fixed 0
  2 number of atoms to be used in translation search  

[a] Note that atoms must be loaded into the bdf so that the first selected number is the fixed sub-group and the second the translated subset.

bounds 1 first x fractional coordinate for search 0
  2 last x fractional coordinate for search 1
  3 \(\delta \) x fractional coordinate for search 0.3 /cell length
  4-6 as above for y  
  7-9 as above for z  


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