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8efb4bd | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 | #ifndef ConnollySurface_H
#define ConnollySurface_H
#include "ChemMolecule.h"
#include "Surface.h"
/** The algorithm is taken from Connolly's original MS program, which is
freely distributable and Copyright 1983, Michael Connolly.
M.L. Connolly, "Solvent-accessible surfaces of proteins and nucleic acids",
Science, 221, p709-713 (1983).
M.L. Connolly, "Analytical molecular surface calculation",
J. Appl. Cryst. 16, p548-558 (1983).
*/
Surface get_connolly_surface(const ChemMolecule& molecule,
float density, float probe_radius);
#endif
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