Daylight v4.9
Release Date: 15 Feb 2005
Name
dt_addh - add explicit hydrogens to a molecule
Generic Prototype
dt_addh(dt_Handle, dt_Boolean) => dt_Boolean
C Prototype
#include "dt_smiles.h"
dt_Boolean dt_addh(dt_Handle mol, dt_Boolean allh)
FORTRAN Prototype
include 'dt_f_smiles.inc'
integer*4 dt_f_addh(mol, allh)
integer*4 mol
integer*4 allh
Description
Modifies 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 Value
Returns TRUE on success, FALSE otherwise.
Related Topics
dt_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)
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