MCS Fragmentation API

A program that loads a previously generated MCS fragment database, then reports the most common fragments identified by fragmentation from the input structure(s).

See also

• OEMCSFragDatabase class
• OEMCSFragDatabase::MoleculeToCores
• OEMCSFragDatabase::CoreToMolecules
• OEMCSFragDatabase::CoreToMoleculeCount
• OEMCSFragDatabaseOptions class

Command Line Interface

prompt> MCSFragOccurrence -indb index.mcsfrag -query queries.sdf

Code