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¶
Download code