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Home ChemPack CStruct Class TCTab Methods CalcMolCenter
See also: CalcMolExtents 

CalcMolCenter

Unit:SDL_cstruct
Class:TCTab
Declaration:procedure CalcMolCenter (var spx, spy, spz: double);

The routine CalcMolCenter calculates the center of the graphics coordinates of the structure by averaging the x, y, and z coordinates of all atoms. The result is returned in the variable parameters spx, spy and spz. If the connection table is empty, zero values are returned.

Last Update: 2023-Dec-13