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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases

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Next: Distance Geometry Up: Hydrogen Bond Database Restraint Previous: Hydrogen Bond Database Restraint


Syntax

HBDB {<hb-database-statement>} END
   <HBDB-statement>:== 
   kdir, force constant for directional term 
   klin, force constant for linear term
   nseg, number of segments over which hbdb operates (max=10)
   nmin, start residue for range over which hbdb operates 
   nmax, end residue for range over which hbdb operates 
   segm, segid over which hbdb operates 
   ohcut, distance cutoff for detection of hbonds 
   coh1, cutoff for c-o-h angle in 3-10 helix 
   coh2, cutoff for c-o-h angle for eberything else
   ohnc, cutoff for o-h-n angle
   updfrq, update frequency
   prnfrq, print frequency (zero to disable)
   freemode=1, fixedmode=0: used free search 
   freemode=0, fixedmode=1: uses hblist file
   @hblist_file entry format:
   assign (don and resid 2 and segid A and name O )
          (acc and resid 8 and segid A and name HN)
   ATTENTION:
   HBDB will only work properly in the absence of RESID skips
   within a given SEGID (chain)
   and in the absence of alphanumeric RESIDs (e.g. 39A)



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