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#ifndef RMSD_H #define RMSD_H #include "rigidbody.h" #include "atomselection.h" #include "coord3d.h" #include "screw.h" #include "basetypes.h" namespace PTools { /// root mean square deviation without superposition dbl Rmsd(const AtomSelection& atsel1, const AtomSelection& atsel2); } #endif //RSMD_H |