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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)
Xplor-NIH 2025-03-21