Some Toolkit Examples
These programs can be found in the Daylight contrib directory.
- combine.c
Combines parents with substituents to produce substituted molecules.
- rings.c
Find rings and ring systems in input molecules.
- thorget.c
Flexible Thor lookup.
- findsubs.c
Find substituents of given parent SMARTS
- pma_pharm.c
Rubicon-based filter estimates PMA (phorbol myristate acetate)
pharmacophore fit.
Some DayPerl Toolkit Examples
These programs can be found in the Daylight 4.51 contrib directory,
and at http://www.daylight.com/support/contrib/.
- thorget
This DayPerl version benefits from Perl's string
capabilities.
- tdtsummary
TDT analysis and report.
- mersearch
Interactive Merlin interface.
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