Daylight v4.9
Release Date: 1 February 2008


dt_smirkin - interpret a string as a generic reaction

Generic Prototype

dt_smirkin(dt_String) => dt_Handle

C Prototype

#include "dt_smarts.h"

dt_Handle dt_smirkin(dt_Integer strlen, dt_String string)

FORTRAN Prototype

include ''

integer*4 dt_f_smirkin(string)

character*() string


Interprets the string as a SMIRKS expression. The SMIRKS represents a generic reaction (transform object).

Return Value

Returns a new transform object or NULL_OB if 'string' is not a valid SMIRKS expression. Returns NULL_OB if 'string' is a valid SMIRKS but if the reaction toolkit license is not available.

Related Topics

dt_pattern(3) dt_transform(3)