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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 2024-09-13