Atom and bond partial fingerprinting and atom coloring with smi2gif
Atom and bond partial fingerprints added to the fingerprint toolkit - dt_fp_partfp()
What use are atom fingerprints?
What's Stigmata?
$DY_ROOT/contrib/src/applics/stigmata/stigmata.c
updated to reflect newly supported fingerprint function.
New options added to
smi2gif
to generate atom colors using
ALAB
datatype in a TDT file.
Example
Daylight Chemical Information Systems, Inc.
info@daylight.com