MCS Similarity score reporting¶
A program that loads a previously generated MCS fragment database, then returns the highest Maximum Common Substructure (Tanimoto) scores from the provided input query structures.
Schematic representation of the MCS fragment index and search process¶
See also
OEMCSFragDatabase class
OEMCSFragDatabaseOptions class
Command Line Interface¶
prompt> MCSFragDatabase.py -indb index.mcsfrag -query queries.sdf
Code¶
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