Molecular Surface Decomposition Using Graphical Modeling
نویسندگان
چکیده
We aim at decomposing molecular surfaces which are in the form of Van der Waals model into a structure adapted for mesh-free modeling. We focus on the generation of spherical patches by using rational Bézier surfaces and homogeneous coordinates. We can achieve exact global continuity by using generalized stereographic projection. We support the theoretical descriptions by practical decompositions of a few molecular surfaces.
منابع مشابه
Experimental Studies, Response Surface Methodology and Molecular Modeling for Optimization and Mechanism Analysis of Methylene Blue Dye Removal by Different Clays
In this work, three types of natural clays including kaolinite, montmorillonite, and illite with different molecular structures, as adsorbents, are selected for the removal of methylene blue dye, and their performance is investigated. Also the optimization and the analysis of the dye adsorption mechanism are performed using the response surface methodology, molecular modeling, and experimental ...
متن کاملImproved, feature-centric EMD for 3D surface modeling and processing
Since late 1990s, Empirical Mode Decomposition (EMD) starts to emerge as a powerful tool for processing non-linear and non-stationary signals. Nonetheless, the research on exploring EMD-relevant techniques in the domain of geometric modeling and processing is extremely rare. Directly applying EMD to coordinate functions of 3D shape geometry will not take advantage of the attractive EMD properti...
متن کاملStructured Functional Decomposition Approach to Knowledge-Based Business Process Modeling
This paper presents an approach for structured decomposition of knowledge in certain problem domains, which can be classified as knowledge-based business processes. Knowledge in such problem domains is already partly formalized, and allows natural functional decomposition; however, it is complex enough to justify knowledgebased implementation of process execution. Examples include, in addition ...
متن کاملSegmenting a Surface Mesh into Pants Using Morse Theory
A pair of pants is a genus zero orientable surface with three boundary components. A pants decomposition of a surface is a finite collection of unordered pairwise disjoint simple closed curves embedded in the surface that decompose the surface into pants. In this paper we present two Morse theory based algorithms for pants decomposition of a surface mesh. Both algorithms operates on a choice of...
متن کاملCUI Networks: A Graphical Representation for Conditional Utility Independence
We introduce CUI networks, a compact graphical representation of utility functions over multiple attributes. CUI networks model multiattribute utility functions using the well studied and widely applicable utility independence concept. We show how conditional utility independence leads to an effective functional decomposition that can be exhibited graphically, and how local, compact data at the...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2008