Package denoptim.integration.tinker

Classes
class	ConformationalSearchPSSROT
	Toolkit to perform conformational search via Tinker PSSROT program. More...
class	TinkerAtom
	Based on the code from ffx.kenai.com Michael J. More...
class	TinkerBond
class	TinkerConstants
	General set of constants used to deal with Tinker. More...
class	TinkerException
	Exceptions resulting from a failure of Tinker. More...
class	TinkerMolecule
class	TinkerUtils
	Toolbox of utilities for Tinker style molecular representation. More...