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Toolkit
Datatrees
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THOR-Merlin Toolkit
C-language interface for chemical database processing/searching
The THOR-Merlin Toolkit is a programming library
which provides a comprehensive programmatic interface to THOR and
Merlin Servers. This toolkit uses the basic set of Daylight objects and
polymorphic functions with additional inter-process communication
functions provided to make communication with THOR databases and
Merlin search servers completely transparent to the programmer.
Objects supported by this Toolkit include:
- Database - object representing a THOR database
- Datafield - a datum in a THOR Dataitem
- Dataitem - one set of related datafields in a THOR datatree
- Datatree - an object representing a THOR datatree
- Datatype - an object representing a datatype definition
- Fieldtype - an object representing one datafields's type
- Server - object representing a connection to a THOR server
- Column - object representing a column of data in a Merlin pool
- Hitlist - object representing search/sort results in a Merlin database
- Merserver - object representing a connection to a Merlin serve
- Pool - object representing a Merlin database
This Toolkit can be used to:
- Add database functionality to an existing program
- Organize 3-D data in a modeling system
- Automatically upload spectral data into a database
- Merge and Q/A data-entry and production database
- Interface between THOR and other database systems
- Write special-purpose database management programs
- Create a chemical inventory control system
- Write a complete database program
- Add database search capability to an existing program
- Search by superstructures and substructures
- Search by molecular similarity
- Search and sort by numerical and text methods
- Provide graphical display of compound classes
- Analyze and display cluster analysis results
- Perform boolean logic on large sets of chemical
- Output exploratory data analysis results to other programs
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