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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