||Daylight Contributed Software and
Daylight contributed software, typically referred to as "Contrib", is a
collection of freely-distributed open source programming wrappers, source
code and data.
The software listed below is available only via download from the daylight
web site. There is additional software included in the Daylight software
release under $DY_ROOT/contrib/src.
There is no overlap between the two Contrib distribution sources.
If you make useful changes to contrib code, or if you have a toolkit
program or database which you think might be useful to the Daylight
user community, please feel free to send them to
Unless otherwise noted, all source code referenced below is public
domain, and may be freely distributed, modified, and used for any
purpose. IT COMES WITH ABSOLUTELY NO WARRANTY OF ANY KIND.
Toolkit Wrappers and Example Programs
Applications and Programs
- AutoShim (David Sullivan and Eric Martin)
Methods for training docking rescoring functions against activity data
- Catserv (Geoff Dreyer)
TDT client/server system in Perl
- Clusterview (Pam Bremer)
View output of the Daylight Cluster Package
- count_smarts.tar.gz (Uli Fechner)
Calculate a SMARTS descriptor, e.g., the Ghose & Crippen
Data and structure conversion utilities
- Fixarom (Brian Karlak)
Modify aromatic systems to satisfy Daylight
- Gadd (Jeremy Yang)
Evolve virtual libraries from fragments with reaction transforms
- GoForth (Jeremy Yang)
Evolve virtual libraries with reaction transforms
- Molalign (T. J. O'Donnel)
Use SMARTS to align mol files to common substructures
- retroflux.tar.gz (Uli Fechner)
RetroFlux implements the retro-synthesis of compounds with a
of reactions, e.g., the RECAP reactions
- smi_to_2d.tar.gz (T. J. O'Donnel)
Produce 2D TDT coordinates aligned to a target SMILES structure.
- Stigmata (Norah MacCuish)
Characterize the commonalities among groups of structures
on an atom by atom basis
THOR example programs
- TPSA (Peter Ertl)
Calculation of polar surface area.
Molecule (SMILES) transformations via rules
Widget toolkit programs
Depict toolkit demo material for Windows