One good way to start learning Daylight Toolkit programming
is to work from a simple existing program. If programming
in C or Fortran, learning to compile and link, probably with
a Makefile, is an essential skill.
is a good first program because it links only to the SMILES
Toolkit, and performs a simple yet useful function, to
cansmi.c, you must do the following:
This creates the Daylight-user library and also installs
the correct machine-dependent include file at
This must be done as the Daylight administrator ("thor").
cp $DY_ROOT/contrib/src/c/smiles/cansmi.c .
cp $DY_ROOT/contrib/src/c/smiles/makefile .
cansmiby entering the command and then a few SMILES:
dt_count()to determine the number of atoms and bonds in each molecule. With each SMILES, print these numbers.
Daylight Chemical Information Systems Inc.