Quacpac TK 1.7.1

New features

• OETyperMolFunction and OEFormalChargeOptions is now the preferred way to set options for the OEEnumerateFormalCharges function. The new form of OEEnumerateFormalCharges returns an iterator of molecules.

Minor bug fixes

• Removed unbounded stack allocations.

Documentation fixes

• Quacpac TK examples have been renamed to more accurately reflect their function.

• Documented the Amber force field constants OECharges.AmberFF94, OECharges.AmberFF99, OECharges.AmberFF99SB, and OECharges.AmberFF99bsc0.

• Documented the AM1BCC constant OECharges.AM1BCCSymSPt and fixed a mistake in the description of the constant OECharges.AM1BCCSPt.