MCS Fragment database generation

A program that performs an MCS fragmentation analysis of a set of structures and saves the generated index file for subsequent loading and querying.

Schematic representation of the MCS fragment search process

See also

• OEMCSFragDatabase class

• OEMCSFragDatabaseOptions class

Command Line Interface

prompt> CreateMCSFragDatabase index.sdf output.mcsfrag

Code

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CreateMCSFragDatabase.cpp