Daylight v4.9 Release Date: 1 February 2008 Namedt_addh - add explicit hydrogens to a moleculeGeneric Prototypedt_addh(dt_Handle, dt_Boolean) => dt_BooleanC Prototype#include "dt_smiles.h"dt_Boolean dt_addh(dt_Handle mol, dt_Boolean allh) FORTRAN Prototypeinclude 'dt_f_smiles.inc'integer*4 dt_f_addh(mol, allh)
integer*4 mol
DescriptionModifies a molecule or reaction by making implicit hydrogens into explicit atoms. If the argument 'allh' is TRUE, then all hydrogens in the molecule or reaction are made explicit. If 'allh' is FALSE, only hydrogens attached to chiral centers (atom-based chirality or EZ double-bond chirality) are made explicit. In all cases chirality of the underlying molecule is preserved.This may only be applied when the object is in modify-on state (see dt_mod_on(3)). Return ValueReturns TRUE on success, FALSE otherwise.Related Topicsdt_alloc_mol(3) dt_alloc_reaction(3) dt_mod_is_on(3) dt_mod_off(3) dt_mod_on(3) dt_smilin_addh(3) dt_suppressh(3) |