A new method for the representation of smooth molecular surface was proposed. The embracing surface, which started from a triangular mesh built on an ellipsoid embracing the whole molecular surface, is deflated stepwise until all the triangles will stick the surface of the molecule. This method can be easily used to get the cavity of the protein.
CAI Wen-sheng, SHAO Xue-guang, PAN Zhong-xiao, ZHANG Mao-Sen. Representation for the Molecular Surface[J]. Progress in Biochemistry and Biophysics,1998,25(4):355-359
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