We present a general framework for a higher-order spline level-set （HLS） method and apply this to biomolecule surfaces construction. Starting from a first order energy functional, we obtain a general level set formu...We present a general framework for a higher-order spline level-set （HLS） method and apply this to biomolecule surfaces construction. Starting from a first order energy functional, we obtain a general level set formulation of geometric partial differential equation, and provide an efficient approach to solving this partial differential equation using a C2 spline basis. We also present a fast cubic spline interpolation algorithm based on convolution and the Z-transform, which exploits the local relationship of interpolatory cubic spline coefficients with respect to given function data values. One example of our HLS method is demonstrated their individual atomic coordinates which is the construction of biomolecule and solvated radii as prerequisites. surfaces （an implicit solvation interface） with展开更多
In this paper, we present a stable, reliable and robust method for reconstructing a three dimensional density function from a set of two dimensional electric tomographic images. By minimizing an energy functional cons...In this paper, we present a stable, reliable and robust method for reconstructing a three dimensional density function from a set of two dimensional electric tomographic images. By minimizing an energy functional consisting of a fidelity term and a regularization term, an L^2-gradient flow is derived. The flow is integrated by a finite element method in the spatial direction and an explicit Euler scheme in temporal direction. The experimental results show that the proposed method is efficient and effective.展开更多
基金Bajaj is supported in part by NSF of USA under Grant No. CNS-0540033NIH under Grant Nos. P20-RR020647, R01- EB00487, R01-GM074258, R01-GM07308.+2 种基金Xu and Zhang are supported by the National Natural Science Foundation of China under Grant No. 60773165the National Basic Research 973 Program of China under Grant No. 2004CB318000. Zhang is also supported by Beijing Educational Committee Foundation under Grant No. KM200811232009.
文摘We present a general framework for a higher-order spline level-set （HLS） method and apply this to biomolecule surfaces construction. Starting from a first order energy functional, we obtain a general level set formulation of geometric partial differential equation, and provide an efficient approach to solving this partial differential equation using a C2 spline basis. We also present a fast cubic spline interpolation algorithm based on convolution and the Z-transform, which exploits the local relationship of interpolatory cubic spline coefficients with respect to given function data values. One example of our HLS method is demonstrated their individual atomic coordinates which is the construction of biomolecule and solvated radii as prerequisites. surfaces （an implicit solvation interface） with
文摘In this paper, we present a stable, reliable and robust method for reconstructing a three dimensional density function from a set of two dimensional electric tomographic images. By minimizing an energy functional consisting of a fidelity term and a regularization term, an L^2-gradient flow is derived. The flow is integrated by a finite element method in the spatial direction and an explicit Euler scheme in temporal direction. The experimental results show that the proposed method is efficient and effective.
