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.py index.sdf output.mcsfrag
Code¶
Download code