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.

• New Python function has been added to create a NumPy Array from the bits stored in an OEFingerPrint. See OEFPToNumpyArray.

Minor Bug Fixes

• A minor tuning of OEFPAtomType_DefaultCircularVSAtom for virtual screening of OEFPType_Circular fingerprints improved the consistency of virtual screening scores when comparing OEFPType_Tree, OEFPType_Circular, and OEFPType_Path for VS fingerprints.