apocharmm.enums.PeriodicBoundaryCondition Class Reference

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Inherits IntEnum.

Static Public Attributes
int	NONE = 0
	Selects no periodic boundary condition.
int	P1 = 1
	Selects conventional translational periodicity.
int	P21 = 2
	Selects P2_1 screw-symmetry periodicity.

Detailed Description

Identifies the periodic boundary condition used by apoCHARMM.

NONE selects no periodic boundary condition. P1 selects conventional three-dimensional translational periodicity. P21 selects the P2_1 screw-symmetry condition.

Integer values 0, 1, and 2 can be converted to this enumeration.