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, ...])

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Topology_14()

Amber topology abstraction for non-uniform 1-4 scale factors