- Public domain toolkit source code for use with Daylight.
- Contrib is the toolbox the toolkit comes in.
- Starting point for application development.
- Contrib code is
!! (Well, kind of.)
- Demo applications with useful or illustrative code fragments.
- Useful applications which might have been supported applications.
Why should I look in Contrib?
- If you are writing a toolkit program and want to see
example code.
- If you have a chemical informatics problem not solved
by Daylight's supported applications (and you are willing to
compile).
- If you're curious about answers to questions you didn't
know you wanted to ask. (E.g., "What is the distribution of
rotatable-bond count for our corporate database?")
Summary of Contents
- Look in:
$DY_ROOT/contrib
- Look in:
http://www.daylight.com/support/contrib/
- Contact: support@daylight.com - for "bits and pieces lying around"
- Some random examples:
- $DY_ROOT/contrib/src/c/smiles/rings.c
- Recognizes rings and ring-systems.
- $DY_ROOT/contrib/src/c/smiles/chiralify.c
- Generate stereoisomers of molecules.
- $DY_ROOT/contrib/src/c/fingerprint/chifinger
- Program for chiral fingerprinting experiments
- $DY_ROOT/contrib/src/applics/convert/mdl/rd2tdt.c
- Convert MDL RD-file to TDT file.
- $DY_ROOT/contrib/src/admin/START_DCIS_SERVERS and KILL_DCIS_SERVERS
- Start and stop servers automatically.
- $DY_ROOT/contrib/src/perl/examples/minpath.pl
- find minimum path between two atoms
- $DY_ROOT/contrib/src/www/daybase.cgi
- Simple Thor/Merlin CGI
What's New?
-
PyDaylight 0.6 update (Andrew Dalke)
- Python toolkit wrapper w/ object classes, now including Thor/Merlin.
- See the MUG'00 presentation
-
make_parents/reroot (John Bradshaw)
- Structural/database standardization.
- Basis for VCS project (Virtual Chemical Stores). (See MUG'00 presentation.)
-
tdtinfo (Roger Sayle)
- Analyze a TDT and specify datatypes automatically.
-
GoForth (Jeremy Yang)
- Evolve virtual libraries with reaction transforms.
-
catserv (Geoff Dreyer)
- TDT-client/server system in perl w/ BerkeleyDB.
- updates/improvements to many programs
Daylight Chemical Information Systems Inc.