CYANA Macro: hbond: Difference between revisions

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Revision as of 13:26, 29 January 2009

Parameters

atom1=string (required)
residue1=integer (required)
atom2=string (required)
residue2=integer (required)

Description

Creates the standard upper and lower limit distance restraints (Williamson et al., 1985) to enforce a hydrogen bond between two atoms, one of which must be a hydrogen atom. The distance between the hydrogen and the acceptor is restrained to the range 1.8-2.0 A, and the distance between the atom covalently bound to the hydrogen and the acceptor is restrained to the range 2.7-3.0 A.