Embedding with a Rigid Substructure
نویسندگان
چکیده
This paper presents a new distance geometry algorithm for calculating atomic coordinates from estimates of the interatomic distances, which maintains the positions of the atoms in a known rigid substructure. Given an matrix of coordinates for the rigid substructure , this problem consists of finding the matrix that yields of global minimum of the so-called STRAIN, i.e.
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تاریخ انتشار 1997