GraphSim TK 2.7.0
New Features
New API functions have been added to explicitly provide access to virtual screening fingerprints which were previously generated with a subtle boolean function argument. See OEMakeVSFP and OEGetVSFPType.
Minor Bug Fixes
A minor tuning of
OEFPAtomType.DefaultCircularVSAtomfor virtual screening ofOEFPType.Circularfingerprints improved the consistency of virtual screening scores when comparingOEFPType.Tree,OEFPType.Circular, andOEFPType.Pathfor VS fingerprints.