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.