The SDL Component Suite is an industry leading collection of components supporting scientific and engineering computing. Please visit the SDL Web site for more information....



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: 2012-Oct-20