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Home  ChemPack CStruct Class TCTab Methods RotateWithPCA |
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| See also: CalcPrincComp |   |
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RotateWithPCA |
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The method RotateWithPCA rotates the structure in a way that the 1st principal component (PC) of the atom coordinates is equal to the x-axis, the 2nd PC is equal to the y-axis, and the 3rd PC equals the z-axis. Thus after the rotation the 3D structure is displayed in a way that the maximum extents of the structure can be seen on the screen.
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Last Update: 2023-Dec-13