acpype.topol

Classes

ACTopol(inputFile[, binaries, chargeType, ...])	Class to build the AC topologies (Antechamber AmberTools).
AbstractTopol()	Abstract super class to build topologies
MolTopol([acTopolObj, acFileXyz, acFileTop, ...])	Class to write topologies and parameters files for several applications.
Topology_14()	Amber topology abstraction for non-uniform 1-4 scale factors.