Force Field X

Type:         ffx.crystal.SpaceGroup
Default:      P1
Definition:   This keyword selects the space group to be used in manipulation of crystal unit cells and asymmetric units.

Type:         Double
Default:      None
Definition:   Sets the value of the a-axis length for a crystal unit cell, or, equivalently, the X-axis length for a periodic box (Angstroms).

Type:         Double
Default:      90.0
Definition:   Sets the value of the α-angle of a crystal unit cell, i.e., the angle between the b-axis and c-axis of a unit cell, or, equivalently, the angle between the Y-axis and Z-axis of a periodic box.

Type:         Double
Default:      A-Axis
Definition:   Sets the value of the b-axis length for a crystal unit cell, or, equivalently, the Y-axis length for a periodic box (Angstroms).

Type:         Double
Default:      Alpha
Definition:   Sets the value of the β-angle of a crystal unit cell, i.e., the angle between the a-axis and c-axis of a unit cell, or, equivalently, the angle between the X-axis and Z-axis of a periodic box.

Type:         Double
Default:      A-Axis
Definition:   Sets the value of the c-axis length for a crystal unit cell, or, equivalently, the Z-axis length for a periodic box (Angstroms).

Type:         Double
Default:      Alpha
Definition:   Sets the value of the γ-angle of a crystal unit cell, i.e., the angle between the a-axis and b-axis of a unit cell, or, equivalently, the angle between the X-axis and Y-axis of a periodic box.