| Brinkmann, G.; Dress, A. W. M.; Perrey, S. W.; Stoye, J. Two applications of the Divide & Conquer principle in the molecular sciences. Math. Program. 1997, 79,71-97. |
....(RiP program at Oberwolfach) is the boundary of a hexagonal system. The aim of the paper is to characterize hexagonal sequences. It seems to us that the method of sequences may be useful in any algorithm enumerating maps p n . Similar sequences are used in a fast algorithm of [BDPS97] enumerating fullerenes 5 n . The task of filling the disc inside the circuit C by a planar graph which is a part of the map 5 n and has C as the boundary circuit is called in [BDPS97] PentHex Puzzle. 2 Boundary circuits of a map Consider a simple cubic planar map, i.e. lying on a plane cubic ....
....sequences may be useful in any algorithm enumerating maps p n . Similar sequences are used in a fast algorithm of [BDPS97] enumerating fullerenes 5 n . The task of filling the disc inside the circuit C by a planar graph which is a part of the map 5 n and has C as the boundary circuit is called in [BDPS97] PentHex Puzzle. 2 Boundary circuits of a map Consider a simple cubic planar map, i.e. lying on a plane cubic plane graph. Call its minimal circuits faces. A p gonal face (p face or p gon) is face with p vertices (and p edges) We consider maps M p having many mutually adjacent hexagonal and s p ....
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G.Brinkmann, A.W.M.Dress, S.W.Perrey, J.Stoye, Two applications of the Divide&Conquer principle in the molecular sciences, Math. Programming 79 (1997) 71--97.
.... the concatenation of DCA(s 1 ( c 1 ) s 2 ( c 2 ) s k ( c k ) L) and DCA(s 1 ( c 1 ) s 2 ( c 2 ) s k ( c k ) L) where (c 1 ; c 2 ; c k ) calc cut(s 1 ; s 2 ; s k ) where the subroutine calc cut computes a C optimal k tuple of slicing sites (see [49, 39, 6] for details regarding suitable branch and bound approaches towards that optimization problem) 5 The Present and the Future State of the Implementation of DCA The program DCA is a C implementation of the divide and conquer alignment method, written in ANSI C, so that it will run on any computer ....
....n is the length of the longest sequence, making the procedure for small L comparable with respect to time and space requirements to iterative alignment procedures, the advantage still being that the sequences are being aligned simultaneously. In the near future, following ideas proposed in [6] and in [51] preprocessing procedures will be implemented in order to speed up the calc cut subroutine and to apply more sophisticated weighting schemes, region dependent gap penalties and pair dependent substitution matrices. 6 Examples In the current implementation of DCA, the parameters used ....
G. Brinkmann, A.W.M. Dress, S.W. Perrey, and J. Stoye. Two Applications of the Divide&Conquer Principle in the Molecular Sciences. to appear in Proceedings of the Conference of the International Society on Mathematical Programming, Lausanne, 1997.
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Brinkmann, G.; Dress, A. W. M.; Perrey, S. W.; Stoye, J. Two applications of the Divide & Conquer principle in the molecular sciences. Math. Program. 1997, 79,71-97.
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